1-cyclopropyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-cyclopropyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]thiourea Openeye Name: 1-cyclopropyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]thiourea CAS Name: 1-cyclopropyl-3-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-cyclopropyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]thiourea Traditional Name: 1-cyclopropyl-3-[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]thiourea Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=S)NC3CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=S)NC3CC3)C

InChI

InChI=1S/C18H21N5OS2/c1-11-9-12(2)20-18(19-11)26-10-13-3-5-14(6-4-13)16(24)22-23-17(25)21-15-7-8-15/h3-6,9,15H,7-8,10H2,1-2H3,(H,22,24)(H2,21,23,25)