tert-butyl 4-[[2-[[(cyanoamino)-methylsulfanyl-methylidene]amino]phenyl]amino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-[[(cyanoamino)-methylsulfanyl-methylidene]amino]phenyl]amino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[[(cyanoamino)-methylsulfanyl-methylene]amino]anilino]piperidine-1-carboxylate CAS Name: 4-[2-[[(cyanoamino)-(methylthio)methylidene]amino]anilino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[[(cyanoamino)-methylsulfanylmethylidene]amino]anilino]piperidine-1-carboxylate Traditional Name: 4-[2-[[(cyanoamino)-(methylthio)methylene]amino]anilino]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2N=C(NC#N)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC2=CC=CC=C2N=C(NC#N)SC

InChI

InChI=1S/C19H27N5O2S/c1-19(2,3)26-18(25)24-11-9-14(10-12-24)22-15-7-5-6-8-16(15)23-17(27-4)21-13-20/h5-8,14,22H,9-12H2,1-4H3,(H,21,23)