N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(8-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(8-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-keto-8-methyl-quinazolin-3-yl)propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C

InChI

InChI=1S/C21H19N5O3S/c1-12-4-3-5-15-19(12)22-11-26(20(15)29)9-8-18(28)25-21-24-16-7-6-14(23-13(2)27)10-17(16)30-21/h3-7,10-11H,8-9H2,1-2H3,(H,23,27)(H,24,25,28)