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

Systemtic Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Openeye Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: N-(3,4-dimethylphenyl)-2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-(3,4-dimethylphenyl)-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-4-33-22-14-10-20(11-15-22)12-16-25(31)30-27(34)29-24-8-6-5-7-23(24)26(32)28-21-13-9-18(2)19(3)17-21/h5-17H,4H2,1-3H3,(H,28,32)(H2,29,30,31,34)/b16-12+