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

Systemtic Name: 4-methyl-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbothioyl]benzamide Openeye Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-4-methyl-benzamide CAS Name: 4-methyl-N-[[4-(phenylmethyl)-1,4-diazepan-1-yl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-4-methylbenzamide Traditional Name: N-(4-benzyl-1,4-diazepane-1-carbothioyl)-4-methyl-benzamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-17-8-10-19(11-9-17)20(25)22-21(26)24-13-5-12-23(14-15-24)16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3,(H,22,25,26)