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

Systemtic Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-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-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]thiourea Traditional Name: 1-benzyl-3-[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]thiourea Formula: C22H23N5OS2 MolecularWeight: 437.58092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N5OS2/c1-15-12-16(2)25-22(24-15)30-14-18-8-10-19(11-9-18)20(28)26-27-21(29)23-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H,26,28)(H2,23,27,29)