N-[3-(azepan-1-ylcarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methyl-benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-methyl-benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-methylbenzamide Traditional Name: N-[3-(azepane-1-carbonyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-methyl-benzamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N3CCCCCC3)NC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N3CCCCCC3)NC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C24H30N2O2S/c1-16-8-7-9-18(14-16)22(27)25-23-21(19-11-10-17(2)15-20(19)29-23)24(28)26-12-5-3-4-6-13-26/h7-9,14,17H,3-6,10-13,15H2,1-2H3,(H,25,27)