methyl N-[(2-aminophenyl)carbamothioyl]carbamate; 4-methylbenzenesulfonic acid

Systemtic Name: methyl N-[(2-aminophenyl)carbamothioyl]carbamate; 4-methylbenzenesulfonic acid Openeye Name: methyl N-[(2-aminophenyl)carbamothioyl]carbamate; 4-methylbenzenesulfonic acid CAS Name: N-[(2-aminoanilino)-sulfanylidenemethyl]carbamic acid methyl ester; 4-methylbenzenesulfonic acid IUPAC Name: methyl N-[(2-aminophenyl)carbamothioyl]carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-[(2-aminophenyl)thiocarbamoyl]carbamic acid methyl ester; tosylic acid Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)NC(=S)NC1=CC=CC=C1N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.COC(=O)NC(=S)NC1=CC=CC=C1N

InChI

InChI=1S/C9H11N3O2S.C7H8O3S/c1-14-9(13)12-8(15)11-7-5-3-2-4-6(7)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,10H2,1H3,(H2,11,12,13,15);2-5H,1H3,(H,8,9,10)