methyl (2R)-4-[(4-butylphenyl)carbamothioyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-butylphenyl)carbamothioyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(4-butylphenyl)carbamothioyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-butylanilino)-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-butylphenyl)carbamothioyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(4-butylphenyl)thiocarbamoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C17H24N2O2S2 MolecularWeight: 352.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C17H24N2O2S2/c1-3-4-5-13-6-8-14(9-7-13)18-17(22)19-10-11-23-15(12-19)16(20)21-2/h6-9,15H,3-5,10-12H2,1-2H3,(H,18,22)/t15-/m1/s1