(2S,4R)-2-(benzotriazol-1-yl)-4-ethoxy-2-phenoxy-N,4-diphenyl-butanethioamide

Systemtic Name: (2S,4R)-2-(benzotriazol-1-yl)-4-ethoxy-2-phenoxy-N,4-diphenyl-butanethioamide Openeye Name: (2S,4R)-2-(benzotriazol-1-yl)-4-ethoxy-2-phenoxy-N,4-diphenyl-butanethioamide CAS Name: (2S,4R)-2-(1-benzotriazolyl)-4-ethoxy-2-phenoxy-N,4-diphenylbutanethioamide IUPAC Name: (2S,4R)-2-(benzotriazol-1-yl)-4-ethoxy-2-phenoxy-N,4-diphenylbutanethioamide Traditional Name: (2S,4R)-2-(benzotriazol-1-yl)-4-ethoxy-2-phenoxy-N,4-diphenyl-thiobutyramide Formula: C30H28N4O2S MolecularWeight: 508.63392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(C(=S)NC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCO[C@H](C[C@](C(=S)NC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)OC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O2S/c1-2-35-28(23-14-6-3-7-15-23)22-30(36-25-18-10-5-11-19-25,29(37)31-24-16-8-4-9-17-24)34-27-21-13-12-20-26(27)32-33-34/h3-21,28H,2,22H2,1H3,(H,31,37)/t28-,30+/m1/s1