5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbothioamide

Systemtic Name: 5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbothioamide Openeye Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbothioamide CAS Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methyl-2-pyrrolecarbothioamide IUPAC Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbothioamide Traditional Name: 5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbothioamide Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C(=S)N)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C(=S)N)NC(=O)O1)C

InChI

InChI=1S/C16H17N3O2S/c1-16(2)10-8-9(4-5-11(10)18-15(20)21-16)12-6-7-13(14(17)22)19(12)3/h4-8H,1-3H3,(H2,17,22)(H,18,20)