6,6-dimethyl-2-[(2-nitrophenyl)carbonylamino]-5,7-dihydro-4H-1-benzothiophene-3-carboxamide

Systemtic Name: 6,6-dimethyl-2-[(2-nitrophenyl)carbonylamino]-5,7-dihydro-4H-1-benzothiophene-3-carboxamide Openeye Name: 6,6-dimethyl-2-[(2-nitrobenzoyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxamide CAS Name: 6,6-dimethyl-2-[[(2-nitrophenyl)-oxomethyl]amino]-5,7-dihydro-4H-1-benzothiophene-3-carboxamide IUPAC Name: 6,6-dimethyl-2-[(2-nitrobenzoyl)amino]-5,7-dihydro-4H-1-benzothiophene-3-carboxamide Traditional Name: 6,6-dimethyl-2-[(2-nitrobenzoyl)amino]-5,7-dihydro-4H-benzothiophene-3-carboxamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1(CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O4S/c1-18(2)8-7-11-13(9-18)26-17(14(11)15(19)22)20-16(23)10-5-3-4-6-12(10)21(24)25/h3-6H,7-9H2,1-2H3,(H2,19,22)(H,20,23)