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

Systemtic Name: 2-[(3-nitrophenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(3-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(3-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(16-9-6-10-17(13-16)26(29)30)25-23-20(18-11-4-5-12-19(18)31-23)22(28)24-14-15-7-2-1-3-8-15/h1-3,6-10,13H,4-5,11-12,14H2,(H,24,28)(H,25,27)