N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[4-[[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]thiophene-2-carboxamide Formula: C21H17N3O2S3 MolecularWeight: 439.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S3/c1-13(19(25)24-21-23-16-5-2-3-6-17(16)29-21)28-15-10-8-14(9-11-15)22-20(26)18-7-4-12-27-18/h2-13H,1H3,(H,22,26)(H,23,24,25)