1,3-benzothiazol-2-ylmethyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-prop-2-enyl-3-thiomorpholin-4-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-3-[oxo(thiomorpholin-4-yl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(5R)-1-prop-2-enyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(thiomorpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(1,3-benzothiazol-2-ylmethyl)ammonium Formula: C23H28N5OS2+ MolecularWeight: 454.63132

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCSCC5

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=NC4=CC=CC=C4S3)C(=N1)C(=O)N5CCSCC5

InChI

InChI=1S/C23H27N5OS2/c1-2-9-28-19-8-7-16(24-15-21-25-18-5-3-4-6-20(18)31-21)14-17(19)22(26-28)23(29)27-10-12-30-13-11-27/h2-6,16,24H,1,7-15H2/p+1/t16-/m1/s1