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

Systemtic Name: N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propyl-amino]acetamide CAS Name: N-[(1-methyl-2-pyrrolyl)methyl]-2-[[[4-(methylthio)anilino]-oxomethyl]-propylamino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]acetamide Traditional Name: N-benzyl-N-[(1-methylpyrrol-2-yl)methyl]-2-[[4-(methylthio)phenyl]carbamoyl-propyl-amino]acetamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2C)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H32N4O2S/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/h5-15,17H,4,16,18-20H2,1-3H3,(H,27,32)