N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-quinazoline-2-carbothioamide Formula: C17H12N4OS2 MolecularWeight: 352.43338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C17H12N4OS2/c1-9-5-4-8-12-13(9)19-17(24-12)21-16(23)14-18-11-7-3-2-6-10(11)15(22)20-14/h2-8H,1H3,(H,18,20,22)(H,19,21,23)