tert-butyl N-[[4-[4-(2-methylbutylsulfanyl)butanoylamino]phenyl]carbamoylamino]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(2-methylbutylsulfanyl)butanoylamino]phenyl]carbamoylamino]carbamate Openeye Name: tert-butyl N-[[4-[4-(2-methylbutylsulfanyl)butanoylamino]phenyl]carbamoylamino]carbamate CAS Name: N-[[[4-[[4-(2-methylbutylthio)-1-oxobutyl]amino]anilino]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(2-methylbutylsulfanyl)butanoylamino]phenyl]carbamoylamino]carbamate Traditional Name: N-[[4-[4-(2-methylbutylthio)butanoylamino]phenyl]carbamoylamino]carbamic acid tert-butyl ester Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CSCCCC(=O)NC1=CC=C(C=C1)NC(=O)NNC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)CSCCCC(=O)NC1=CC=C(C=C1)NC(=O)NNC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N4O4S/c1-6-15(2)14-30-13-7-8-18(26)22-16-9-11-17(12-10-16)23-19(27)24-25-20(28)29-21(3,4)5/h9-12,15H,6-8,13-14H2,1-5H3,(H,22,26)(H,25,28)(H2,23,24,27)