[3-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazolidin-2-yl]phenyl] N-butylcarbamate

Systemtic Name: [3-[(2S)-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazolidin-2-yl]phenyl] N-butylcarbamate Openeye Name: [3-[(2S)-3-benzyl-4-oxo-thiazolidin-2-yl]phenyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [3-[(2S)-4-oxo-3-(phenylmethyl)-2-thiazolidinyl]phenyl] ester IUPAC Name: [3-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]phenyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [3-[(2S)-3-benzyl-4-keto-thiazolidin-2-yl]phenyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1=CC=CC(=C1)C2N(C(=O)CS2)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)OC1=CC=CC(=C1)[C@H]2N(C(=O)CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-2-3-12-22-21(25)26-18-11-7-10-17(13-18)20-23(19(24)15-27-20)14-16-8-5-4-6-9-16/h4-11,13,20H,2-3,12,14-15H2,1H3,(H,22,25)/t20-/m0/s1