2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-benzyl-N-(2-thienylmethyl)acetamide CAS Name: 2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]-N-(phenylmethyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-benzyl-N-(2-thenyl)acetamide Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N(CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3

InChI

InChI=1S/C25H27N3O2S2/c1-3-15-27(25(30)26-21-11-13-22(31-2)14-12-21)19-24(29)28(18-23-10-7-16-32-23)17-20-8-5-4-6-9-20/h3-14,16H,1,15,17-19H2,2H3,(H,26,30)