5-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: 5-nitro-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: 5-nitro-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: 5-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: 5-nitro-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C18H13N3O3S4 MolecularWeight: 447.57412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=CC=C(S3)[N+](=O)[O-])SC(=N2)SCCC4=CSC=C4

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=CC=C(S3)[N+](=O)[O-])SC(=N2)SCCC4=CSC=C4

InChI

InChI=1S/C18H13N3O3S4/c22-17(14-3-4-16(27-14)21(23)24)19-12-1-2-13-15(9-12)28-18(20-13)26-8-6-11-5-7-25-10-11/h1-5,7,9-10H,6,8H2,(H,19,22)