N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[3-[5-[(1R)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)[C@H](C)CC

InChI

InChI=1S/C28H29N3O3S/c1-4-15-33-23-12-9-19(10-13-23)26(32)31-28(35)29-22-8-6-7-21(16-22)27-30-24-17-20(18(3)5-2)11-14-25(24)34-27/h6-14,16-18H,4-5,15H2,1-3H3,(H2,29,31,32,35)/t18-/m1/s1