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

Systemtic Name: 2-[2-(4-nitrophenyl)ethanoylamino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-nitrophenyl)acetyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-nitrophenyl)-1-oxoethyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-nitrophenyl)acetyl]amino]-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-nitrophenyl)acetyl]amino]-6-propyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-2-3-12-6-9-15-16(10-12)28-20(18(15)19(21)25)22-17(24)11-13-4-7-14(8-5-13)23(26)27/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H2,21,25)(H,22,24)