[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Openeye Name: [4-(p-tolylmethyl)-1,4-diazepan-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone CAS Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone Traditional Name: [4-(4-methylbenzyl)-1,4-diazepan-1-yl]-(2-thioxo-1H-pyridin-3-yl)methanone Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CNC3=S

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CNC3=S

InChI

InChI=1S/C19H23N3OS/c1-15-5-7-16(8-6-15)14-21-10-3-11-22(13-12-21)19(23)17-4-2-9-20-18(17)24/h2,4-9H,3,10-14H2,1H3,(H,20,24)