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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC=C(C=C3)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)/C=C/C3=CC=C(C=C3)OC

InChI

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