7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-propyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-propyl-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-propyl-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-propyl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-propyl-2-thioxo-1H-quinazolin-4-one Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)NC1=S

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4CCCCC4)NC1=S

InChI

InChI=1S/C22H30N4O2S/c1-2-10-26-21(28)18-9-8-16(15-19(18)23-22(26)29)20(27)25-13-11-24(12-14-25)17-6-4-3-5-7-17/h8-9,15,17H,2-7,10-14H2,1H3,(H,23,29)