3-(2-diethylaminoethyl)-7-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(2-diethylaminoethyl)-7-[4-(phenylmethyl)piperidin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-benzylpiperidine-1-carbonyl)-3-(2-diethylaminoethyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(2-diethylaminoethyl)-7-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-benzylpiperidine-1-carbonyl)-3-(2-diethylaminoethyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-benzylpiperidine-1-carbonyl)-3-(2-diethylaminoethyl)-2-thioxo-1H-quinazolin-4-one Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)NC1=S

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C27H34N4O2S/c1-3-29(4-2)16-17-31-26(33)23-11-10-22(19-24(23)28-27(31)34)25(32)30-14-12-21(13-15-30)18-20-8-6-5-7-9-20/h5-11,19,21H,3-4,12-18H2,1-2H3,(H,28,34)