2-butyl-N,2-dimethyl-6-nitro-chromene-4-carbothioamide

Systemtic Name: 2-butyl-N,2-dimethyl-6-nitro-chromene-4-carbothioamide Openeye Name: 2-butyl-N,2-dimethyl-6-nitro-chromene-4-carbothioamide CAS Name: 2-butyl-N,2-dimethyl-6-nitro-1-benzopyran-4-carbothioamide IUPAC Name: 2-butyl-N,2-dimethyl-6-nitrochromene-4-carbothioamide Traditional Name: 2-butyl-N,2-dimethyl-6-nitro-chromene-4-carbothioamide Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)C

Isomeric SMILES

CCCCC1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)C

InChI

InChI=1S/C16H20N2O3S/c1-4-5-8-16(2)10-13(15(22)17-3)12-9-11(18(19)20)6-7-14(12)21-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,17,22)