2-[(2-methyl-3-nitro-phenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-methyl-3-nitro-benzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-methyl-3-nitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-methyl-3-nitro-benzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O4S/c1-3-5-12-8-9-14-16(10-12)28-20(17(14)18(21)24)22-19(25)13-6-4-7-15(11(13)2)23(26)27/h4,6-7,12H,3,5,8-10H2,1-2H3,(H2,21,24)(H,22,25)