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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)-prop-2-enyl-amino]-4-methyl-pentanethioamide Openeye Name: 2-[allyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)methyl]-4-methyl-pentanethioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)-prop-2-enylamino]-4-methylpentanethioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-1,3-benzothiazol-2-yl)-prop-2-enylamino]-4-methylpentanethioamide Traditional Name: 2-[allyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]-N-(4-chlorobenzyl)-4-methyl-thiovaleramide Formula: C25H30ClN3OS2 MolecularWeight: 488.1082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC=C)C(CC(C)C)C(=S)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC=C)C(CC(C)C)C(=S)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H30ClN3OS2/c1-5-13-29(25-28-21-12-11-20(30-6-2)15-23(21)32-25)22(14-17(3)4)24(31)27-16-18-7-9-19(26)10-8-18/h5,7-12,15,17,22H,1,6,13-14,16H2,2-4H3,(H,27,31)