[4-(phenylmethyl)-1,4-diazepan-1-yl]-(2-propylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(2-propylsulfanylpyridin-3-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2-propylsulfanyl-3-pyridyl)methanone CAS Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-[2-(propylthio)-3-pyridinyl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2-propylsulfanylpyridin-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[2-(propylthio)-3-pyridyl]methanone Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-2-16-26-20-19(10-6-11-22-20)21(25)24-13-7-12-23(14-15-24)17-18-8-4-3-5-9-18/h3-6,8-11H,2,7,12-17H2,1H3