2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-allyl-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-allyl-2-[(2-keto-2-piperidino-ethyl)thio]-5H-pyrimid[5,4-b]indol-4-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C2=C(C3=CC=CC=C3N2)N=C1SCC(=O)N4CCCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-10-24-19(26)18-17(14-8-4-5-9-15(14)21-18)22-20(24)27-13-16(25)23-11-6-3-7-12-23/h2,4-5,8-9,21H,1,3,6-7,10-13H2