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

Systemtic Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Openeye Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one CAS Name: 3-[[3-[4-(4-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one IUPAC Name: 3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one Traditional Name: 3-[[3-keto-3-[4-(4-methoxyphenyl)piperazino]propyl]thio]-1,3,4,5-tetrahydro-1-benzazepin-2-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSC3CCC4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSC3CCC4=CC=CC=C4NC3=O

InChI

InChI=1S/C24H29N3O3S/c1-30-20-9-7-19(8-10-20)26-13-15-27(16-14-26)23(28)12-17-31-22-11-6-18-4-2-3-5-21(18)25-24(22)29/h2-5,7-10,22H,6,11-17H2,1H3,(H,25,29)