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

Systemtic Name: 2-[1,3-benzothiazol-2-yl(prop-2-enyl)amino]-N-[(4-chlorophenyl)methyl]-4-methyl-pentanethioamide Openeye Name: 2-[allyl(1,3-benzothiazol-2-yl)amino]-N-[(4-chlorophenyl)methyl]-4-methyl-pentanethioamide CAS Name: 2-[1,3-benzothiazol-2-yl(prop-2-enyl)amino]-N-[(4-chlorophenyl)methyl]-4-methylpentanethioamide IUPAC Name: 2-[1,3-benzothiazol-2-yl(prop-2-enyl)amino]-N-[(4-chlorophenyl)methyl]-4-methylpentanethioamide Traditional Name: 2-[allyl(1,3-benzothiazol-2-yl)amino]-N-(4-chlorobenzyl)-4-methyl-thiovaleramide Formula: C23H26ClN3S2 MolecularWeight: 444.05564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NCC1=CC=C(C=C1)Cl)N(CC=C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(C(=S)NCC1=CC=C(C=C1)Cl)N(CC=C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C23H26ClN3S2/c1-4-13-27(23-26-19-7-5-6-8-21(19)29-23)20(14-16(2)3)22(28)25-15-17-9-11-18(24)12-10-17/h4-12,16,20H,1,13-15H2,2-3H3,(H,25,28)