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

Systemtic Name: N-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: N-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: N-[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: N-[2-[[2-keto-2-(p-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C21H17N3O2S3 MolecularWeight: 439.57358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O2S3/c1-13-4-6-14(7-5-13)22-19(25)12-28-21-24-16-9-8-15(11-18(16)29-21)23-20(26)17-3-2-10-27-17/h2-11H,12H2,1H3,(H,22,25)(H,23,26)