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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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