N-(phenylmethyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(phenylmethyl)-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7-isopropoxyquinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-(7-propan-2-yloxy-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7-isopropoxyquinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)C(=NC=N2)N3CCN(CC3)C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C23H27N5OS/c1-17(2)29-19-8-9-20-21(14-19)25-16-26-22(20)27-10-12-28(13-11-27)23(30)24-15-18-6-4-3-5-7-18/h3-9,14,16-17H,10-13,15H2,1-2H3,(H,24,30)