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

Systemtic Name: 3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methyl-benzamide CAS Name: 3-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-methylbenzamide Traditional Name: N-benzyl-N-methyl-3-[[(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(=C2)C(=O)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O3S/c1-3-33-24-15-12-20(13-16-24)14-17-25(31)29-27(34)28-23-11-7-10-22(18-23)26(32)30(2)19-21-8-5-4-6-9-21/h4-18H,3,19H2,1-2H3,(H2,28,29,31,34)/b17-14+