1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-phenylsulfanyl-propan-1-one Openeye Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-phenylsulfanyl-propan-1-one CAS Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-(phenylthio)-1-propanone IUPAC Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-phenylsulfanylpropan-1-one Traditional Name: 1-(1-methyl-3,4-dihydro-2H-[1,4]diazepino[2,3-b]quinoxalin-5-yl)-3-(phenylthio)propan-1-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CN1CCCN(C2=NC3=CC=CC=C3N=C21)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c1-24-13-7-14-25(19(26)12-15-27-16-8-3-2-4-9-16)21-20(24)22-17-10-5-6-11-18(17)23-21/h2-6,8-11H,7,12-15H2,1H3