N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C31H26ClN3O3S MolecularWeight: 556.07444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=CC=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H26ClN3O3S/c1-19(2)21-11-14-28-27(16-21)34-30(38-28)25-17-23(12-13-26(25)32)33-31(39)35-29(36)22-9-6-10-24(15-22)37-18-20-7-4-3-5-8-20/h3-17,19H,18H2,1-2H3,(H2,33,35,36,39)