N-(3-chlorophenyl)-2-methyl-6-nitro-4-oxidanylidene-quinazoline-3-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-2-methyl-6-nitro-4-oxidanylidene-quinazoline-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-2-methyl-6-nitro-4-oxo-quinazoline-3-carbothioamide CAS Name: N-(3-chlorophenyl)-2-methyl-6-nitro-4-oxo-3-quinazolinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-2-methyl-6-nitro-4-oxoquinazoline-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-keto-2-methyl-6-nitro-quinazoline-3-carbothioamide Formula: C16H11ClN4O3S MolecularWeight: 374.80154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H11ClN4O3S/c1-9-18-14-6-5-12(21(23)24)8-13(14)15(22)20(9)16(25)19-11-4-2-3-10(17)7-11/h2-8H,1H3,(H,19,25)