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

Systemtic Name: 4-methoxy-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbothioyl]benzamide Openeye Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-4-methoxy-benzamide CAS Name: 4-methoxy-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-4-methoxybenzamide Traditional Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-4-methoxy-benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-26-19-10-8-18(9-11-19)20(25)22-21(27)24-13-5-12-23(14-15-24)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3,(H,22,25,27)