N-(1H-benzimidazol-2-ylmethyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-(1H-benzimidazol-2-ylmethyl)-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCC(=O)NCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H17N5O2S/c25-17(20-11-16-21-14-7-3-4-8-15(14)22-16)9-10-24-18(26)12-5-1-2-6-13(12)23-19(24)27/h1-8H,9-11H2,(H,20,25)(H,21,22)(H,23,27)