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

Systemtic Name: 2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-N-cyclohexyl-4-methyl-pentanethioamide Openeye Name: 2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-N-cyclohexyl-4-methyl-pentanethioamide CAS Name: 2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-N-cyclohexyl-4-methylpentanethioamide IUPAC Name: 2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-N-cyclohexyl-4-methylpentanethioamide Traditional Name: 2-[1,3-benzothiazol-2-yl(2-methoxyethyl)amino]-N-cyclohexyl-4-methyl-thiovaleramide Formula: C22H33N3OS2 MolecularWeight: 419.64692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=S)NC1CCCCC1)N(CCOC)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CC(C(=S)NC1CCCCC1)N(CCOC)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H33N3OS2/c1-16(2)15-19(21(27)23-17-9-5-4-6-10-17)25(13-14-26-3)22-24-18-11-7-8-12-20(18)28-22/h7-8,11-12,16-17,19H,4-6,9-10,13-15H2,1-3H3,(H,23,27)