N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-chloranyl-benzamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-chloranyl-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-chloro-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-chlorobenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-chlorobenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-chloro-benzamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-17-7-5-6-16(14-17)19(26)24-21(28)23-18-10-8-15(9-11-18)20(27)25-12-3-1-2-4-13-25/h5-11,14H,1-4,12-13H2,(H2,23,24,26,28)