4-methyl-N-[[(3-nitrophenyl)carbamothioylamino]-phenyl-methyl]benzamide

Systemtic Name: 4-methyl-N-[[(3-nitrophenyl)carbamothioylamino]-phenyl-methyl]benzamide Openeye Name: 4-methyl-N-[[(3-nitrophenyl)carbamothioylamino]-phenyl-methyl]benzamide CAS Name: 4-methyl-N-[[[(3-nitroanilino)-sulfanylidenemethyl]amino]-phenylmethyl]benzamide IUPAC Name: 4-methyl-N-[[(3-nitrophenyl)carbamothioylamino]-phenylmethyl]benzamide Traditional Name: 4-methyl-N-[[(3-nitrophenyl)thiocarbamoylamino]-phenyl-methyl]benzamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O3S/c1-15-10-12-17(13-11-15)21(27)24-20(16-6-3-2-4-7-16)25-22(30)23-18-8-5-9-19(14-18)26(28)29/h2-14,20H,1H3,(H,24,27)(H2,23,25,30)