1-[1-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-phenyl-urea

Systemtic Name: 1-[1-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-phenyl-urea Openeye Name: 1-[1-[[(3,4-dimethylphenyl)carbamothioylamino]carbamoyl]-2-methyl-propyl]-3-phenyl-urea CAS Name: 1-[1-[[(3,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-3-methyl-1-oxobutan-2-yl]-3-phenylurea IUPAC Name: 1-[1-[2-[(3,4-dimethylphenyl)carbamothioyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea Traditional Name: 1-[1-[[(3,4-dimethylphenyl)thiocarbamoylamino]carbamoyl]-2-methyl-propyl]-3-phenyl-urea Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=O)C(C(C)C)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C21H27N5O2S/c1-13(2)18(24-20(28)22-16-8-6-5-7-9-16)19(27)25-26-21(29)23-17-11-10-14(3)15(4)12-17/h5-13,18H,1-4H3,(H,25,27)(H2,22,24,28)(H2,23,26,29)