2-[(2-nitrophenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-nitrophenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-nitrophenyl)-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O4S/c27-21(16-10-4-6-12-18(16)26(29)30)25-23-20(17-11-5-7-13-19(17)31-23)22(28)24-14-15-8-2-1-3-9-15/h1-4,6,8-10,12H,5,7,11,13-14H2,(H,24,28)(H,25,27)