1-[[4-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]methyl]urea

Systemtic Name: 1-[[4-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]methyl]urea Openeye Name: [4-[(isopropylcarbamothioylamino)carbamoyl]phenyl]methylurea CAS Name: [4-[oxo-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]methylurea IUPAC Name: [4-[(propan-2-ylcarbamothioylamino)carbamoyl]phenyl]methylurea Traditional Name: [4-[(isopropylthiocarbamoylamino)carbamoyl]benzyl]urea Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1=CC=C(C=C1)CNC(=O)N

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1=CC=C(C=C1)CNC(=O)N

InChI

InChI=1S/C13H19N5O2S/c1-8(2)16-13(21)18-17-11(19)10-5-3-9(4-6-10)7-15-12(14)20/h3-6,8H,7H2,1-2H3,(H,17,19)(H3,14,15,20)(H2,16,18,21)