[(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: [(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: [(5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: [(5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C17H26N2OS MolecularWeight: 306.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N3CCCN(CC3)C

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCCN(CC3)C

InChI

InChI=1S/C17H26N2OS/c1-3-13-5-6-15-14(11-13)12-16(21-15)17(20)19-8-4-7-18(2)9-10-19/h12-13H,3-11H2,1-2H3/t13-/m0/s1