2-[(3-methyl-4-nitro-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-methyl-4-nitro-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3-methyl-4-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-10-9-11(7-8-13(10)21(24)25)17(23)20-18-15(16(19)22)12-5-3-2-4-6-14(12)26-18/h7-9H,2-6H2,1H3,(H2,19,22)(H,20,23)