methyl 4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]benzoate

Systemtic Name: methyl 4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]benzoate Openeye Name: methyl 4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]benzoate CAS Name: 4-[[[[[(2S)-2-methylheptyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2S)-2-methylheptyl]carbamothioylamino]carbamoyl]benzoate Traditional Name: 4-[[[(2S)-2-methylheptyl]thiocarbamoylamino]carbamoyl]benzoic acid methyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S/c1-4-5-6-7-13(2)12-19-18(25)21-20-16(22)14-8-10-15(11-9-14)17(23)24-3/h8-11,13H,4-7,12H2,1-3H3,(H,20,22)(H2,19,21,25)/t13-/m0/s1