N-[3-[ethyl(phenyl)amino]propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Openeye Name: N-[3-(N-ethylanilino)propyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide CAS Name: N-[3-(N-ethylanilino)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Traditional Name: N-[3-(N-ethylanilino)propyl]-6-thioxo-5H-benzimidazolo[1,2-c]quinazoline-3-carboxamide Formula: C26H25N5OS MolecularWeight: 455.5746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2)C5=CC=CC=C5

Isomeric SMILES

CCN(CCCNC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2)C5=CC=CC=C5

InChI

InChI=1S/C26H25N5OS/c1-2-30(19-9-4-3-5-10-19)16-8-15-27-25(32)18-13-14-20-22(17-18)29-26(33)31-23-12-7-6-11-21(23)28-24(20)31/h3-7,9-14,17H,2,8,15-16H2,1H3,(H,27,32)(H,29,33)