O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl] imidazole-1-carbothioate

Systemtic Name: O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl] imidazole-1-carbothioate Openeye Name: O-[1-methyl-3-(p-tolylsulfonylamino)butyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl] ester IUPAC Name: O-[4-[(4-methylphenyl)sulfonylamino]pentan-2-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[1-methyl-3-(tosylamino)butyl] ester Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)CC(C)OC(=S)N2C=CN=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)CC(C)OC(=S)N2C=CN=C2

InChI

InChI=1S/C16H21N3O3S2/c1-12-4-6-15(7-5-12)24(20,21)18-13(2)10-14(3)22-16(23)19-9-8-17-11-19/h4-9,11,13-14,18H,10H2,1-3H3