1-[[4-[[(2,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]-3-propan-2-yl-urea

Systemtic Name: 1-[[4-[[(2,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]-3-propan-2-yl-urea Openeye Name: 1-[[4-[[(2,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]-3-isopropyl-urea CAS Name: 1-[[4-[[[(2,4-dimethylanilino)-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]methyl]-3-propan-2-ylurea IUPAC Name: 1-[[4-[[(2,4-dimethylphenyl)carbamothioylamino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea Traditional Name: 1-[4-[[(2,4-dimethylphenyl)thiocarbamoylamino]carbamoyl]benzyl]-3-isopropyl-urea Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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