[3-(tert-butylamino)-3-oxidanylidene-propyl] carbamimidothioate; 4-methylbenzenesulfonic acid

Systemtic Name: [3-(tert-butylamino)-3-oxidanylidene-propyl] carbamimidothioate; 4-methylbenzenesulfonic acid Openeye Name: N-tert-butyl-3-carbamimidoylsulfanyl-propanamide; 4-methylbenzenesulfonic acid CAS Name: carbamimidothioic acid [3-(tert-butylamino)-3-oxopropyl] ester; 4-methylbenzenesulfonic acid IUPAC Name: [3-(tert-butylamino)-3-oxopropyl] carbamimidothioate; 4-methylbenzenesulfonic acid Traditional Name: 3-(amidinothio)-N-tert-butyl-propionamide; tosylic acid Formula: C15H25N3O4S2 MolecularWeight: 375.5067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)NC(=O)CCSC(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)NC(=O)CCSC(=N)N

InChI

InChI=1S/C8H17N3OS.C7H8O3S/c1-8(2,3)11-6(12)4-5-13-7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h4-5H2,1-3H3,(H3,9,10)(H,11,12);2-5H,1H3,(H,8,9,10)