(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methyl-carbamate

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methyl-carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methyl-carbamate CAS Name: N-[[2-cyanoethyl(cyclohexyl)amino]thio]-N-methylcarbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[2-cyanoethyl(cyclohexyl)amino]sulfanyl-N-methylcarbamate Traditional Name: N-[[2-cyanoethyl(cyclohexyl)amino]thio]-N-methyl-carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CCC#N)C3CCCCC3)C

Isomeric SMILES

CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SN(CCC#N)C3CCCCC3)C

InChI

InChI=1S/C21H29N3O3S/c1-21(2)15-16-9-7-12-18(19(16)27-21)26-20(25)23(3)28-24(14-8-13-22)17-10-5-4-6-11-17/h7,9,12,17H,4-6,8,10-11,14-15H2,1-3H3