ethyl N-[4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]phenyl]carbamate CAS Name: N-[4-[[[(4-butylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[(4-butylphenyl)carbamothioylamino]carbamoyl]phenyl]carbamate Traditional Name: N-[4-[[(4-butylphenyl)thiocarbamoylamino]carbamoyl]phenyl]carbamic acid ethyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)OCC

InChI

InChI=1S/C21H26N4O3S/c1-3-5-6-15-7-11-17(12-8-15)22-20(29)25-24-19(26)16-9-13-18(14-10-16)23-21(27)28-4-2/h7-14H,3-6H2,1-2H3,(H,23,27)(H,24,26)(H2,22,25,29)