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

Systemtic Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]thiocarbamoylamino]benzamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4)OC

InChI

InChI=1S/C31H28N4O4S/c1-38-27-18-12-21(20-28(27)39-2)13-19-29(36)35-31(40)34-26-11-7-6-10-25(26)30(37)33-24-16-14-23(15-17-24)32-22-8-4-3-5-9-22/h3-20,32H,1-2H3,(H,33,37)(H2,34,35,36,40)/b19-13+