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

Systemtic Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(2-cyanoethyl)amino]sulfanyl-N-methyl-carbamate Openeye Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[bis(2-cyanoethyl)amino]sulfanyl-N-methyl-carbamate CAS Name: N-[[bis(2-cyanoethyl)amino]thio]-N-methylcarbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[bis(2-cyanoethyl)amino]sulfanyl-N-methylcarbamate Traditional Name: N-[[bis(2-cyanoethyl)amino]thio]-N-methyl-carbamic acid (2,2-dimethylcoumaran-7-yl) ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-18(2)13-14-7-4-8-15(16(14)25-18)24-17(23)21(3)26-22(11-5-9-19)12-6-10-20/h4,7-8H,5-6,11-13H2,1-3H3