4-(cyclohexylcarbamoylamino)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]butanamide

Systemtic Name: 4-(cyclohexylcarbamoylamino)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]butanamide Openeye Name: 4-(cyclohexylcarbamoylamino)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]butanamide CAS Name: 4-[[(cyclohexylamino)-oxomethyl]amino]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]butanamide IUPAC Name: 4-(cyclohexylcarbamoylamino)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]butanamide Traditional Name: 4-(cyclohexylcarbamoylamino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]butyramide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCNC(=O)NC3CCCCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCNC(=O)NC3CCCCC3)C

InChI

InChI=1S/C23H31N5O2S/c1-16-15-17(2)26-23(25-16)31-20-12-10-19(11-13-20)27-21(29)9-6-14-24-22(30)28-18-7-4-3-5-8-18/h10-13,15,18H,3-9,14H2,1-2H3,(H,27,29)(H2,24,28,30)