N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-[2-[4-(4-methoxyphenyl)piperazino]ethyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C28H28N6O2S MolecularWeight: 512.62592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4

InChI

InChI=1S/C28H28N6O2S/c1-36-21-9-7-20(8-10-21)33-16-14-32(15-17-33)13-12-29-27(35)19-6-11-22-24(18-19)31-28(37)34-25-5-3-2-4-23(25)30-26(22)34/h2-11,18H,12-17H2,1H3,(H,29,35)(H,31,37)