2-[(4-chlorophenyl)methyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-cyclohexyl-4-methyl-pentanethioamide

Systemtic Name: 2-[(4-chlorophenyl)methyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-cyclohexyl-4-methyl-pentanethioamide Openeye Name: 2-[(4-chlorophenyl)methyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-cyclohexyl-4-methyl-pentanethioamide CAS Name: 2-[(4-chlorophenyl)methyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-cyclohexyl-4-methylpentanethioamide IUPAC Name: 2-[(4-chlorophenyl)methyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-cyclohexyl-4-methylpentanethioamide Traditional Name: 2-[(4-chlorobenzyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-cyclohexyl-4-methyl-thiovaleramide Formula: C28H36ClN3OS2 MolecularWeight: 530.18794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=C(C=C3)Cl)C(CC(C)C)C(=S)NC4CCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=C(C=C3)Cl)C(CC(C)C)C(=S)NC4CCCCC4

InChI

InChI=1S/C28H36ClN3OS2/c1-4-33-23-14-15-24-26(17-23)35-28(31-24)32(18-20-10-12-21(29)13-11-20)25(16-19(2)3)27(34)30-22-8-6-5-7-9-22/h10-15,17,19,22,25H,4-9,16,18H2,1-3H3,(H,30,34)