(4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanyl-phenyl]methanone

Systemtic Name: (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanyl-phenyl]methanone Openeye Name: (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-(2-pyridylsulfanyl)phenyl]methanone CAS Name: (4-cyclopropyl-1-piperazinyl)-[3-(methylaminomethyl)-4-(2-pyridinylthio)phenyl]methanone IUPAC Name: (4-cyclopropylpiperazin-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanylphenyl]methanone Traditional Name: (4-cyclopropylpiperazino)-[3-(methylaminomethyl)-4-(2-pyridylthio)phenyl]methanone Formula: C21H26N4OS MolecularWeight: 382.52234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3CC3)SC4=CC=CC=N4

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3CC3)SC4=CC=CC=N4

InChI

InChI=1S/C21H26N4OS/c1-22-15-17-14-16(5-8-19(17)27-20-4-2-3-9-23-20)21(26)25-12-10-24(11-13-25)18-6-7-18/h2-5,8-9,14,18,22H,6-7,10-13,15H2,1H3