(1S,3S,4R,5R)-3-(3,4-dichlorophenyl)-4-(ethoxymethyl)-8-azabicyclo[3.2.1]octane; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Systemtic Name: (1S,3S,4R,5R)-3-(3,4-dichlorophenyl)-4-(ethoxymethyl)-8-azabicyclo[3.2.1]octane; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Openeye Name: (1S,3S,4R,5R)-3-(3,4-dichlorophenyl)-4-(ethoxymethyl)-8-azabicyclo[3.2.1]octane; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine CAS Name: (1S,3S,4R,5R)-3-(3,4-dichlorophenyl)-4-(ethoxymethyl)-8-azabicyclo[3.2.1]octane; (6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine IUPAC Name: (1S,3S,4R,5R)-3-(3,4-dichlorophenyl)-4-(ethoxymethyl)-8-azabicyclo[3.2.1]octane; (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine Traditional Name: [(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propyl-amine; (1S,3S,4R,5R)-3-(3,4-dichlorophenyl)-4-(ethoxymethyl)-8-azabicyclo[3.2.1]octane Formula: C26H38Cl2N4OS MolecularWeight: 525.57712

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCC2=C(C1)SC(=N2)N.CCOCC1C2CCC(N2)CC1C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCCN[C@H]1CCC2=C(C1)SC(=N2)N.CCOC[C@H]1[C@H]2CC[C@H](N2)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C16H21Cl2NO.C10H17N3S/c1-2-20-9-13-12(8-11-4-6-16(13)19-11)10-3-5-14(17)15(18)7-10;1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h3,5,7,11-13,16,19H,2,4,6,8-9H2,1H3;7,12H,2-6H2,1H3,(H2,11,13)/t11-,12+,13+,16+;7-/m00/s1