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

Systemtic Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]ethanamide Openeye Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-cyclopropyl-N-[(1-methyl-2-pyrrolyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]acetamide IUPAC Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]acetamide Traditional Name: N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CN1C)C2CC2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H30N4O2S/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/h5-8,11-12,14,18H,4,9-10,13,15-16H2,1-3H3,(H,23,28)