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

Systemtic Name: N-[2-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Openeye Name: N-[2-[2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide CAS Name: N-[2-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]butanamide IUPAC Name: N-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]butanamide Traditional Name: N-[2-[[2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]butyramide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S2/c1-3-4-18(25)22-13-5-7-15-17(10-13)29-20(24-15)28-11-19(26)23-12-6-8-16(27-2)14(21)9-12/h5-10H,3-4,11H2,1-2H3,(H,22,25)(H,23,26)