2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(4-phenylazanylphenyl)benzamide

Systemtic Name: 2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C29H23N5O4S MolecularWeight: 537.58902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3NC(=S)NC(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H23N5O4S/c35-27(18-13-20-7-6-10-24(19-20)34(37)38)33-29(39)32-26-12-5-4-11-25(26)28(36)31-23-16-14-22(15-17-23)30-21-8-2-1-3-9-21/h1-19,30H,(H,31,36)(H2,32,33,35,39)/b18-13+