2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H16N4O4S3 MolecularWeight: 448.53904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H16N4O4S3/c19-16(24)15-10-3-1-2-4-12(10)28-17(15)21-14(23)8-27-18-20-11-6-5-9(22(25)26)7-13(11)29-18/h5-7H,1-4,8H2,(H2,19,24)(H,21,23)