7-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]carbonyl-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-allyl-7-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[[4-[2-(4-ethoxyphenyl)ethyl]-1-piperidinyl]-oxomethyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-allyl-7-[4-(2-p-phenetylethyl)piperidine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC=C

InChI

InChI=1S/C27H31N3O3S/c1-3-15-30-26(32)23-12-9-21(18-24(23)28-27(30)34)25(31)29-16-13-20(14-17-29)6-5-19-7-10-22(11-8-19)33-4-2/h3,7-12,18,20H,1,4-6,13-17H2,2H3,(H,28,34)