S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-(2,4,4-trimethylpentan-2-yl)carbamothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]phenyl] N-(2,4,4-trimethylpentan-2-yl)carbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]phenyl] N-(1,1,3,3-tetramethylbutyl)carbamothioate CAS Name: N-(2,4,4-trimethylpentan-2-yl)carbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl] N-(2,4,4-trimethylpentan-2-yl)carbamothioate Traditional Name: N-(1,1,3,3-tetramethylbutyl)thiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]phenyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)SC1=CC=CC=C1C(=O)NCCC(=O)N

InChI

InChI=1S/C19H29N3O3S/c1-18(2,3)12-19(4,5)22-17(25)26-14-9-7-6-8-13(14)16(24)21-11-10-15(20)23/h6-9H,10-12H2,1-5H3,(H2,20,23)(H,21,24)(H,22,25)