4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbothioamide

Systemtic Name: 4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbothioamide Openeye Name: 4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbothioamide CAS Name: 4-(4-phenethyl-1-piperazinyl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbothioamide IUPAC Name: 4-(4-phenethylpiperazin-1-yl)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbothioamide Traditional Name: 4-(4-phenethylpiperazino)-6,7,8,9-tetrahydropyrimid[4,5-b]indolizine-10-carbothioamide Formula: C23H28N6S MolecularWeight: 420.57362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=C(C3=C2C(=NC=N3)N4CCN(CC4)CCC5=CC=CC=C5)C(=S)N)C1

Isomeric SMILES

C1CCN2C(=C(C3=C2C(=NC=N3)N4CCN(CC4)CCC5=CC=CC=C5)C(=S)N)C1

InChI

InChI=1S/C23H28N6S/c24-22(30)19-18-8-4-5-10-29(18)21-20(19)25-16-26-23(21)28-14-12-27(13-15-28)11-9-17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H2,24,30)