1-[(2R,3R)-2,3-bis(oxidanyl)-4-(phenylcarbamothioylamino)butyl]-3-phenyl-thiourea

Systemtic Name: 1-[(2R,3R)-2,3-bis(oxidanyl)-4-(phenylcarbamothioylamino)butyl]-3-phenyl-thiourea Openeye Name: 1-[(2R,3R)-2,3-dihydroxy-4-(phenylcarbamothioylamino)butyl]-3-phenyl-thiourea CAS Name: 1-[(2R,3R)-4-[[anilino(sulfanylidene)methyl]amino]-2,3-dihydroxybutyl]-3-phenylthiourea IUPAC Name: 1-[(2R,3R)-2,3-dihydroxy-4-(phenylcarbamothioylamino)butyl]-3-phenylthiourea Traditional Name: 1-[(2R,3R)-2,3-dihydroxy-4-(phenylthiocarbamoylamino)butyl]-3-phenyl-thiourea Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCC(C(CNC(=S)NC2=CC=CC=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC[C@H]([C@@H](CNC(=S)NC2=CC=CC=C2)O)O

InChI

InChI=1S/C18H22N4O2S2/c23-15(11-19-17(25)21-13-7-3-1-4-8-13)16(24)12-20-18(26)22-14-9-5-2-6-10-14/h1-10,15-16,23-24H,11-12H2,(H2,19,21,25)(H2,20,22,26)/t15-,16-/m1/s1