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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

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