N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methoxy-7-methyl-quinazolin-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methoxy-7-methyl-quinazolin-4-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methoxy-7-methyl-quinazolin-4-yl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methoxy-7-methyl-4-quinazolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6-methoxy-7-methylquinazolin-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(6-methoxy-7-methyl-quinazolin-4-yl)-N-piperonyl-piperazine-1-carbothioamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=S)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C23H25N5O3S/c1-15-9-18-17(11-20(15)29-2)22(26-13-25-18)27-5-7-28(8-6-27)23(32)24-12-16-3-4-19-21(10-16)31-14-30-19/h3-4,9-11,13H,5-8,12,14H2,1-2H3,(H,24,32)