4-(7-ethoxy-6-methoxy-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(7-ethoxy-6-methoxy-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(7-ethoxy-6-methoxy-quinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(7-ethoxy-6-methoxy-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(7-ethoxy-6-methoxy-quinazolin-4-yl)piperazine-1-carbothioamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H27N5O2S/c1-3-30-21-14-19-18(13-20(21)29-2)22(26-16-25-19)27-9-11-28(12-10-27)23(31)24-15-17-7-5-4-6-8-17/h4-8,13-14,16H,3,9-12,15H2,1-2H3,(H,24,31)