1-[(2S)-2-methylheptyl]-3-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(2-methyl-5-methylsulfonyl-phenyl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(2-methyl-5-methylsulfonyl-benzoyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[(2-methyl-5-methylsulfonylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(2-methyl-5-methylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-[(5-mesyl-2-methyl-benzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C18H29N3O3S2/c1-5-6-7-8-13(2)12-19-18(25)21-20-17(22)16-11-15(26(4,23)24)10-9-14(16)3/h9-11,13H,5-8,12H2,1-4H3,(H,20,22)(H2,19,21,25)/t13-/m0/s1