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

Systemtic Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenyl-ethyl]sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-1-phenyl-ethyl]thio]phenyl]thiophene-2-carboxamide Formula: C27H21N3O3S3 MolecularWeight: 531.66894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H21N3O3S3/c1-33-19-11-14-21-23(16-19)36-27(29-21)30-26(32)24(17-6-3-2-4-7-17)35-20-12-9-18(10-13-20)28-25(31)22-8-5-15-34-22/h2-16,24H,1H3,(H,28,31)(H,29,30,32)