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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2)CC5=CC=CC=C5

Isomeric SMILES

CN(CCCNC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=S)N2)CC5=CC=CC=C5

InChI

InChI=1S/C26H25N5OS/c1-30(17-18-8-3-2-4-9-18)15-7-14-27-25(32)19-12-13-20-22(16-19)29-26(33)31-23-11-6-5-10-21(23)28-24(20)31/h2-6,8-13,16H,7,14-15,17H2,1H3,(H,27,32)(H,29,33)