[(2R,3R)-3-[(4-phenylazanylphenyl)carbamothioylamino]-1,4-dioxan-2-yl] ethanoate

Systemtic Name: [(2R,3R)-3-[(4-phenylazanylphenyl)carbamothioylamino]-1,4-dioxan-2-yl] ethanoate Openeye Name: [(2R,3R)-3-[(4-anilinophenyl)carbamothioylamino]-1,4-dioxan-2-yl] acetate CAS Name: acetic acid [(2R,3R)-3-[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-1,4-dioxan-2-yl] ester IUPAC Name: [(2R,3R)-3-[(4-anilinophenyl)carbamothioylamino]-1,4-dioxan-2-yl] acetate Traditional Name: acetic acid [(2R,3R)-3-[(4-anilinophenyl)thiocarbamoylamino]-1,4-dioxan-2-yl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OCCO1)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OCCO1)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4S/c1-13(23)26-18-17(24-11-12-25-18)22-19(27)21-16-9-7-15(8-10-16)20-14-5-3-2-4-6-14/h2-10,17-18,20H,11-12H2,1H3,(H2,21,22,27)/t17-,18-/m1/s1