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

Systemtic Name: (6S)-2-[(3-nitrophenyl)carbonylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-2-[(3-nitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-2-[[(3-nitrophenyl)-oxomethyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-2-[(3-nitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-2-[(3-nitrobenzoyl)amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-2-4-11-7-8-14-15(9-11)27-19(16(14)17(20)23)21-18(24)12-5-3-6-13(10-12)22(25)26/h3,5-6,10-11H,2,4,7-9H2,1H3,(H2,20,23)(H,21,24)/t11-/m0/s1