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

Systemtic Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]thiourea CAS Name: 1-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-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)NCC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS2/c1-4-9-19-17(25)23-22-16(24)15-7-5-14(6-8-15)11-26-18-20-12(2)10-13(3)21-18/h4-8,10H,1,9,11H2,2-3H3,(H,22,24)(H2,19,23,25)