4-methyl-N-[1-[(3-nitrophenyl)carbamothioylamino]-2-phenyl-ethyl]benzamide

Systemtic Name: 4-methyl-N-[1-[(3-nitrophenyl)carbamothioylamino]-2-phenyl-ethyl]benzamide Openeye Name: 4-methyl-N-[1-[(3-nitrophenyl)carbamothioylamino]-2-phenyl-ethyl]benzamide CAS Name: 4-methyl-N-[1-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-2-phenylethyl]benzamide IUPAC Name: 4-methyl-N-[1-[(3-nitrophenyl)carbamothioylamino]-2-phenylethyl]benzamide Traditional Name: 4-methyl-N-[1-[(3-nitrophenyl)thiocarbamoylamino]-2-phenyl-ethyl]benzamide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O3S/c1-16-10-12-18(13-11-16)22(28)25-21(14-17-6-3-2-4-7-17)26-23(31)24-19-8-5-9-20(15-19)27(29)30/h2-13,15,21H,14H2,1H3,(H,25,28)(H2,24,26,31)