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

Systemtic Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enyl-amino]ethanamide Openeye Name: 2-[allyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide CAS Name: N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-prop-2-enylamino]acetamide IUPAC Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-prop-2-enylamino]acetamide Traditional Name: 2-[allyl-[[4-(methylthio)phenyl]carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C=CC=C1CN(C2CC2)C(=O)CN(CC=C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H28N4O2S/c1-4-13-25(22(28)23-17-7-11-20(29-3)12-8-17)16-21(27)26(18-9-10-18)15-19-6-5-14-24(19)2/h4-8,11-12,14,18H,1,9-10,13,15-16H2,2-3H3,(H,23,28)