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

Systemtic Name: 3-chloranyl-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbothioyl]benzamide Openeye Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-3-chloro-benzamide CAS Name: 3-chloro-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-3-chlorobenzamide Traditional Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-3-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=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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