N-[3-[(4-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[3-[(4-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-furan-2-carboxamide CAS Name: N-[3-[(4-chloroanilino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitro-2-furancarboxamide IUPAC Name: N-[3-[(4-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[3-[(4-chlorophenyl)carbamoyl]-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-nitro-2-furamide Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NC3=CC=C(C=C3)Cl)NC(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O5S/c1-11-2-7-14-16(10-11)31-21(24-19(26)15-8-9-17(30-15)25(28)29)18(14)20(27)23-13-5-3-12(22)4-6-13/h3-6,8-9,11H,2,7,10H2,1H3,(H,23,27)(H,24,26)