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

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(4-phenylazanylphenyl)benzamide Openeye Name: N-(4-anilinophenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-anilinophenyl)-2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-anilinophenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(4-anilinophenyl)-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C31H28N4O3S MolecularWeight: 536.64402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C31H28N4O3S/c1-2-38-26-19-12-22(13-20-26)14-21-29(36)35-31(39)34-28-11-7-6-10-27(28)30(37)33-25-17-15-24(16-18-25)32-23-8-4-3-5-9-23/h3-21,32H,2H2,1H3,(H,33,37)(H2,34,35,36,39)/b21-14+