(4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanyl-phenyl]methanone

Systemtic Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanyl-phenyl]methanone Openeye Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(2-pyridylsulfanyl)phenyl]methanone CAS Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(2-pyridinylthio)phenyl]methanone IUPAC Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-pyridin-2-ylsulfanylphenyl]methanone Traditional Name: (4-cyclopropyl-1,4-diazepan-1-yl)-[3-(methylaminomethyl)-4-(2-pyridylthio)phenyl]methanone Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)SC4=CC=CC=N4

Isomeric SMILES

CNCC1=C(C=CC(=C1)C(=O)N2CCCN(CC2)C3CC3)SC4=CC=CC=N4

InChI

InChI=1S/C22H28N4OS/c1-23-16-18-15-17(6-9-20(18)28-21-5-2-3-10-24-21)22(27)26-12-4-11-25(13-14-26)19-7-8-19/h2-3,5-6,9-10,15,19,23H,4,7-8,11-14,16H2,1H3