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

Systemtic Name: 3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide Openeye Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide CAS Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-propyl-2-benzimidazolyl)propanamide IUPAC Name: 3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(1-propylbenzimidazol-2-yl)propanamide Traditional Name: 3-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-(1-propylbenzimidazol-2-yl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H21N5O2S/c1-2-12-25-17-10-6-5-9-16(17)22-20(25)24-18(27)11-13-26-19(28)14-7-3-4-8-15(14)23-21(26)29/h3-10H,2,11-13H2,1H3,(H,23,29)(H,22,24,27)