1-(phenylmethyl)-3-[(1R,2R,3S,4S,5S)-2,3,4,5-tetrakis(oxidanyl)-2-(phenylmethoxymethyl)cyclopentyl]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[(1R,2R,3S,4S,5S)-2,3,4,5-tetrakis(oxidanyl)-2-(phenylmethoxymethyl)cyclopentyl]thiourea Openeye Name: 1-benzyl-3-[(1R,2R,3S,4S,5S)-2-(benzyloxymethyl)-2,3,4,5-tetrahydroxy-cyclopentyl]thiourea CAS Name: 1-(phenylmethyl)-3-[(1R,2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-2-(phenylmethoxymethyl)cyclopentyl]thiourea IUPAC Name: 1-benzyl-3-[(1R,2R,3S,4S,5S)-2,3,4,5-tetrahydroxy-2-(phenylmethoxymethyl)cyclopentyl]thiourea Traditional Name: 1-[(1R,2R,3S,4S,5S)-2-(benzoxymethyl)-2,3,4,5-tetrahydroxy-cyclopentyl]-3-benzyl-thiourea Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2C(C(C(C2(COCC3=CC=CC=C3)O)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N[C@@H]2[C@@H]([C@@H]([C@@H]([C@@]2(COCC3=CC=CC=C3)O)O)O)O

InChI

InChI=1S/C21H26N2O5S/c24-16-17(25)19(26)21(27,13-28-12-15-9-5-2-6-10-15)18(16)23-20(29)22-11-14-7-3-1-4-8-14/h1-10,16-19,24-27H,11-13H2,(H2,22,23,29)/t16-,17+,18-,19+,21+/m1/s1