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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-isopentyloxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(3-methylbutoxy)benzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(3-methylbutoxy)benzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-isoamoxy-benzamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C26H33N3O3S/c1-19(2)14-17-32-21-11-9-10-20(18-21)24(30)28-26(33)27-23-13-6-5-12-22(23)25(31)29-15-7-3-4-8-16-29/h5-6,9-13,18-19H,3-4,7-8,14-17H2,1-2H3,(H2,27,28,30,33)