N-(cyclohexylmethyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[2-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)NCC4CCCCC4

InChI

InChI=1S/C27H35N3O3S/c1-33-23-11-7-10-22(18-23)29-14-16-30(17-15-29)27(32)24-12-5-6-13-25(24)34-20-26(31)28-19-21-8-3-2-4-9-21/h5-7,10-13,18,21H,2-4,8-9,14-17,19-20H2,1H3,(H,28,31)