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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

COCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C24H29N3O4S/c1-30-16-17-31-19-12-10-18(11-13-19)22(28)26-24(32)25-21-9-5-4-8-20(21)23(29)27-14-6-2-3-7-15-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H2,25,26,28,32)