tert-butyl N-[3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[(4-chlorophenyl)carbamothioylamino]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(4-chlorophenyl)thiocarbamoylamino]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NNC(=S)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H21ClN4O3S/c1-19(2,3)27-18(26)22-15-6-4-5-12(11-15)16(25)23-24-17(28)21-14-9-7-13(20)8-10-14/h4-11H,1-3H3,(H,22,26)(H,23,25)(H2,21,24,28)