N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]phenyl]thiophene-2-carboxamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O3S3/c1-27-14-6-9-16-18(11-14)30-21(23-16)24-19(25)12-29-15-7-4-13(5-8-15)22-20(26)17-3-2-10-28-17/h2-11H,12H2,1H3,(H,22,26)(H,23,24,25)