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

Systemtic Name: N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide Openeye Name: N-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide CAS Name: N-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-2-furancarboxamide IUPAC Name: N-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide Traditional Name: N-[2-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]-2-furamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C21H17N3O3S2/c1-13-4-2-5-14(10-13)22-19(25)12-28-21-24-16-8-7-15(11-18(16)29-21)23-20(26)17-6-3-9-27-17/h2-11H,12H2,1H3,(H,22,25)(H,23,26)