N-[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide

Systemtic Name: N-[2-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(4-chloroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-(4-chloroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S2/c1-2-3-17(24)22-14-8-9-15-16(10-14)27-19(23-15)26-11-18(25)21-13-6-4-12(20)5-7-13/h4-10H,2-3,11H2,1H3,(H,21,25)(H,22,24)