4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide

Systemtic Name: 4-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide Openeye Name: 4-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide CAS Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide IUPAC Name: 4-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butanamide Traditional Name: 4-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[2-(1H-indol-3-yl)ethyl]butyramide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H21BrN4O2S/c23-15-7-8-19-17(12-15)21(29)27(22(30)26-19)11-3-6-20(28)24-10-9-14-13-25-18-5-2-1-4-16(14)18/h1-2,4-5,7-8,12-13,25H,3,6,9-11H2,(H,24,28)(H,26,30)