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

Systemtic Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[[[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: 2-[[(E)-3-(4-methoxyphenyl)acryloyl]thiocarbamoylamino]-N-p-phenetyl-benzamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

InChI=1S/C26H25N3O4S/c1-3-33-21-15-11-19(12-16-21)27-25(31)22-6-4-5-7-23(22)28-26(34)29-24(30)17-10-18-8-13-20(32-2)14-9-18/h4-17H,3H2,1-2H3,(H,27,31)(H2,28,29,30,34)/b17-10+