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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-keto-1H-quinazoline-2-carbothioamide Formula: C16H9ClN4OS2 MolecularWeight: 372.85186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C16H9ClN4OS2/c17-9-5-3-7-11-12(9)19-16(24-11)21-15(23)13-18-10-6-2-1-4-8(10)14(22)20-13/h1-7H,(H,18,20,22)(H,19,21,23)