S-[2-[(3-azanyl-3-oxidanylidene-propyl)amino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)amino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid Openeye Name: S-[2-[(3-amino-3-oxo-propyl)amino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid CAS Name: benzenecarbothioic acid S-[2-[(3-amino-3-oxopropyl)amino]ethyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: S-[2-[(3-amino-3-oxopropyl)amino]ethyl] benzenecarbothioate; 4-methylbenzenesulfonic acid Traditional Name: thiobenzoic acid S-[2-[(3-amino-3-keto-propyl)amino]ethyl] ester; tosylic acid Formula: C19H24N2O5S2 MolecularWeight: 424.53426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(=O)SCCNCCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(=O)SCCNCCC(=O)N

InChI

InChI=1S/C12H16N2O2S.C7H8O3S/c13-11(15)6-7-14-8-9-17-12(16)10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,14H,6-9H2,(H2,13,15);2-5H,1H3,(H,8,9,10)