2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-N-(2-furylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(4-chloro-3-nitrobenzoyl)amino]-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-N-(2-furfuryl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H18ClN3O5S/c22-15-8-7-12(10-16(15)25(28)29)19(26)24-21-18(14-5-1-2-6-17(14)31-21)20(27)23-11-13-4-3-9-30-13/h3-4,7-10H,1-2,5-6,11H2,(H,23,27)(H,24,26)