1-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[(3S)-1-(4-ethoxyphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]thiourea CAS Name: 1-[[[(3S)-1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiourea Traditional Name: 1-benzyl-3-[[(3S)-5-keto-1-p-phenetyl-pyrrolidine-3-carbonyl]amino]thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-2-28-18-10-8-17(9-11-18)25-14-16(12-19(25)26)20(27)23-24-21(29)22-13-15-6-4-3-5-7-15/h3-11,16H,2,12-14H2,1H3,(H,23,27)(H2,22,24,29)/t16-/m0/s1