3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Systemtic Name: 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CSC3CCC4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CSC3CCC4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H27N3O3S/c1-29-19-7-4-6-18(15-19)25-11-13-26(14-12-25)22(27)16-30-21-10-9-17-5-2-3-8-20(17)24-23(21)28/h2-8,15,21H,9-14,16H2,1H3,(H,24,28)