(carbamothioylamino)methyl 4-methylbenzenesulfonate

Systemtic Name: (carbamothioylamino)methyl 4-methylbenzenesulfonate Openeye Name: (carbamothioylamino)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (carbamothioylamino)methyl ester IUPAC Name: (carbamothioylamino)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid thioureidomethyl ester Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCNC(=S)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCNC(=S)N

InChI

InChI=1S/C9H12N2O3S2/c1-7-2-4-8(5-3-7)16(12,13)14-6-11-9(10)15/h2-5H,6H2,1H3,(H3,10,11,15)