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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c25-19(16-8-4-3-5-9-16)23-21(27)22-18-12-10-17(11-13-18)20(26)24-14-6-1-2-7-15-24/h3-5,8-13H,1-2,6-7,14-15H2,(H2,22,23,25,27)