2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(3,5-dimethyl-4-nitropyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(3,5-dimethyl-4-nitro-pyrazol-1-yl)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H25N5O4S MolecularWeight: 419.4979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H25N5O4S/c1-10-6-7-13-14(9-10)29-19(16(13)18(20)26)21-15(25)5-4-8-23-12(3)17(24(27)28)11(2)22-23/h10H,4-9H2,1-3H3,(H2,20,26)(H,21,25)