N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioamide Traditional Name: 4-(6,7-dimethoxy-9H-pyrimid[4,5-b]indol-4-yl)-N-piperonyl-piperazine-1-carbothioamide Formula: C25H26N6O4S MolecularWeight: 506.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)N=CN=C3N4CCN(CC4)C(=S)NCC5=CC6=C(C=C5)OCO6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)N=CN=C3N4CCN(CC4)C(=S)NCC5=CC6=C(C=C5)OCO6)OC

InChI

InChI=1S/C25H26N6O4S/c1-32-19-10-16-17(11-20(19)33-2)29-23-22(16)24(28-13-27-23)30-5-7-31(8-6-30)25(36)26-12-15-3-4-18-21(9-15)35-14-34-18/h3-4,9-11,13H,5-8,12,14H2,1-2H3,(H,26,36)(H,27,28,29)