1-[(2S)-2-methylheptyl]-3-[(4-methylsulfonylphenyl)carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[(4-methylsulfonylphenyl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[(4-methylsulfonylbenzoyl)amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[(4-methylsulfonylbenzoyl)amino]thiourea Traditional Name: 1-[(4-mesylbenzoyl)amino]-3-[(2S)-2-methylheptyl]thiourea Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S2/c1-4-5-6-7-13(2)12-18-17(24)20-19-16(21)14-8-10-15(11-9-14)25(3,22)23/h8-11,13H,4-7,12H2,1-3H3,(H,19,21)(H2,18,20,24)/t13-/m0/s1