N-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: N-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-N-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-methyl-2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-N-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-N-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-28(17-19-8-3-2-4-9-19)24(31)21-12-5-6-13-22(21)26-25(34)27-23(30)15-14-18-10-7-11-20(16-18)29(32)33/h2-16H,17H2,1H3,(H2,26,27,30,34)/b15-14+