4-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 4-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C24H23N3O2S2 MolecularWeight: 449.58832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C(=C(S2)CC3=CC=CC=C3)C)C(=O)N

InChI

InChI=1S/C24H23N3O2S2/c1-15-8-10-17(11-9-15)12-13-20(28)26-24(30)27-23-21(22(25)29)16(2)19(31-23)14-18-6-4-3-5-7-18/h3-13H,14H2,1-2H3,(H2,25,29)(H2,26,27,28,30)/b13-12+