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

Systemtic Name: 4-(6-methoxy-7-methyl-quinazolin-4-yl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(6-methoxy-7-methyl-quinazolin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6-methoxy-7-methyl-4-quinazolinyl)-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(6-methoxy-7-methylquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(6-methoxy-7-methyl-quinazolin-4-yl)piperazine-1-carbothioamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N5OS/c1-16-12-19-18(13-20(16)28-2)21(25-15-24-19)26-8-10-27(11-9-26)22(29)23-14-17-6-4-3-5-7-17/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,23,29)