N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2-methylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-isobutyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2-methylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-3-isobutyl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4N3)NC1=S

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4N3)NC1=S

InChI

InChI=1S/C23H25N5O2S/c1-14(2)13-28-22(30)16-10-9-15(12-19(16)27-23(28)31)21(29)24-11-5-8-20-25-17-6-3-4-7-18(17)26-20/h3-4,6-7,9-10,12,14H,5,8,11,13H2,1-2H3,(H,24,29)(H,25,26)(H,27,31)