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

Systemtic Name: N-methyl-2-[(3-nitrophenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-methyl-2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-methyl-2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-methyl-2-[(3-nitrobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S2/c1-19-16(24)14-12-7-2-3-8-13(12)28-17(14)21-18(27)20-15(23)10-5-4-6-11(9-10)22(25)26/h4-6,9H,2-3,7-8H2,1H3,(H,19,24)(H2,20,21,23,27)