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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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