N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)ethanamide

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]-N-(phenylmethyl)ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C=CC=C1CN(CC2=CC=CC=C2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H30N4O2S/c1-4-16-29(26(32)27-22-12-14-24(33-3)15-13-22)20-25(31)30(18-21-9-6-5-7-10-21)19-23-11-8-17-28(23)2/h4-15,17H,1,16,18-20H2,2-3H3,(H,27,32)