N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-cyclopentyloxy-4-methoxy-phenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-[3-(cyclopentoxy)-4-methoxy-phenyl]-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C27H33N5O4S MolecularWeight: 523.64702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC5CCCC5

InChI

InChI=1S/C27H33N5O4S/c1-33-22-9-8-18(14-25(22)36-19-6-4-5-7-19)30-27(37)32-12-10-31(11-13-32)26-20-15-23(34-2)24(35-3)16-21(20)28-17-29-26/h8-9,14-17,19H,4-7,10-13H2,1-3H3,(H,30,37)