2-chloranyl-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbothioyl]benzamide Openeye Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-2-chloro-benzamide CAS Name: 2-chloro-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-2-chlorobenzamide Traditional Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-2-chloro-benzamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3OS/c21-18-10-5-4-9-17(18)19(25)22-20(26)24-12-6-11-23(13-14-24)15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,22,25,26)