N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-butan-2-yloxy-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-butan-2-yloxy-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-sec-butoxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-butan-2-yloxybenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-butan-2-yloxybenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-sec-butoxy-benzamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C25H31N3O3S/c1-3-18(2)31-20-12-10-11-19(17-20)23(29)27-25(32)26-22-14-7-6-13-21(22)24(30)28-15-8-4-5-9-16-28/h6-7,10-14,17-18H,3-5,8-9,15-16H2,1-2H3,(H2,26,27,29,32)