N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-isopropoxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-isopropoxy-benzamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-17(2)30-19-13-11-18(12-14-19)22(28)26-24(31)25-21-10-6-5-9-20(21)23(29)27-15-7-3-4-8-16-27/h5-6,9-14,17H,3-4,7-8,15-16H2,1-2H3,(H2,25,26,28,31)