4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-ethyl-butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]-N-ethyl-butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxo-ethyl]-N-ethyl-butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylbutanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[2-[(4-chlorobenzyl)amino]-2-keto-ethyl]-N-ethyl-butyramide Formula: C22H24ClN3O2S2 MolecularWeight: 462.02786

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24ClN3O2S2/c1-2-26(15-20(27)24-14-16-9-11-17(23)12-10-16)21(28)8-5-13-29-22-25-18-6-3-4-7-19(18)30-22/h3-4,6-7,9-12H,2,5,8,13-15H2,1H3,(H,24,27)