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

Systemtic Name: 2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide CAS Name: 2-[[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioylamino]benzamide Traditional Name: N-benzyl-2-[[(E)-3-p-phenetylacryloyl]thiocarbamoylamino]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

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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)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H25N3O3S/c1-2-32-21-15-12-19(13-16-21)14-17-24(30)29-26(33)28-23-11-7-6-10-22(23)25(31)27-18-20-8-4-3-5-9-20/h3-17H,2,18H2,1H3,(H,27,31)(H2,28,29,30,33)/b17-14+