tert-butyl N-[1-oxidanylidene-1-(1,3,4-thiadiazol-2-ylamino)-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-1-(1,3,4-thiadiazol-2-ylamino)-3-(triphenylmethyl)sulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)-1-(tritylsulfanylmethyl)ethyl]carbamate CAS Name: N-[1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-3-[(triphenylmethyl)thio]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-1-(1,3,4-thiadiazol-2-ylamino)-3-tritylsulfanylpropan-2-yl]carbamate Traditional Name: N-[2-keto-2-(1,3,4-thiadiazol-2-ylamino)-1-[(tritylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C29H30N4O3S2 MolecularWeight: 546.7035

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NN=CS4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=NN=CS4

InChI

InChI=1S/C29H30N4O3S2/c1-28(2,3)36-27(35)31-24(25(34)32-26-33-30-20-37-26)19-38-29(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24H,19H2,1-3H3,(H,31,35)(H,32,33,34)