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

Systemtic Name: N-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-keto-2-(m-toluidino)ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C20H21N3O2S2 MolecularWeight: 399.52964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C20H21N3O2S2/c1-3-5-18(24)21-15-8-9-16-17(11-15)27-20(23-16)26-12-19(25)22-14-7-4-6-13(2)10-14/h4,6-11H,3,5,12H2,1-2H3,(H,21,24)(H,22,25)