N-[2-[methyl-(phenylmethyl)amino]ethyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide

Systemtic Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide Openeye Name: N-[2-[benzyl(methyl)amino]ethyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]propanamide CAS Name: N-[2-[methyl-(phenylmethyl)amino]ethyl]-3-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]propanamide IUPAC Name: N-[2-[benzyl(methyl)amino]ethyl]-3-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]propanamide Traditional Name: N-[2-[benzyl(methyl)amino]ethyl]-3-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]propionamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNC(=O)CCSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN(CCNC(=O)CCSCC1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5OS/c1-30(21-23-10-4-2-5-11-23)18-15-28-26(33)14-19-34-22-24-20-29-32(25-12-6-3-7-13-25)27(24)31-16-8-9-17-31/h2-13,16-17,20H,14-15,18-19,21-22H2,1H3,(H,28,33)