N-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-[2-(3-methoxyanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-[[2-keto-2-(m-anisidino)ethyl]thio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C21H17N3O3S3 MolecularWeight: 455.57298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

InChI

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