1-(1,3-benzothiazol-2-yl)-3-[(S)-diphenoxyphosphoryl(phenyl)methyl]urea

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-[(S)-diphenoxyphosphoryl(phenyl)methyl]urea Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-[(S)-diphenoxyphosphoryl(phenyl)methyl]urea CAS Name: 1-(1,3-benzothiazol-2-yl)-3-[(S)-diphenoxyphosphoryl(phenyl)methyl]urea IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-[(S)-diphenoxyphosphoryl(phenyl)methyl]urea Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-[(S)-diphenoxyphosphoryl(phenyl)methyl]urea Formula: C27H22N3O4PS MolecularWeight: 515.520041

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC(=O)NC2=NC3=CC=CC=C3S2)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](NC(=O)NC2=NC3=CC=CC=C3S2)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H22N3O4PS/c31-26(30-27-28-23-18-10-11-19-24(23)36-27)29-25(20-12-4-1-5-13-20)35(32,33-21-14-6-2-7-15-21)34-22-16-8-3-9-17-22/h1-19,25H,(H2,28,29,30,31)/t25-/m0/s1