4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-propylcyclohexyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-propylcyclohexyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-propylcyclohexyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(6,7-dimethoxy-4-quinazolinyl)-N-[4-(4-propylcyclohexyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-propylcyclohexyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(4-propylcyclohexyl)phenyl]piperazine-1-carbothioamide Formula: C30H39N5O2S MolecularWeight: 533.72796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=NC5=CC(=C(C=C54)OC)OC

InChI

InChI=1S/C30H39N5O2S/c1-4-5-21-6-8-22(9-7-21)23-10-12-24(13-11-23)33-30(38)35-16-14-34(15-17-35)29-25-18-27(36-2)28(37-3)19-26(25)31-20-32-29/h10-13,18-22H,4-9,14-17H2,1-3H3,(H,33,38)