4-(6-methoxy-7-propan-2-yloxy-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-methoxy-7-propan-2-yloxy-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7-isopropoxy-6-methoxy-quinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6-methoxy-7-propan-2-yloxy-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6-methoxy-7-propan-2-yloxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7-isopropoxy-6-methoxy-quinazolin-4-yl)piperazine-1-carbothioamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)OC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C24H29N5O2S/c1-17(2)31-22-14-20-19(13-21(22)30-3)23(27-16-26-20)28-9-11-29(12-10-28)24(32)25-15-18-7-5-4-6-8-18/h4-8,13-14,16-17H,9-12,15H2,1-3H3,(H,25,32)