3-(2-methylpropoxy)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]benzamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

InChI

InChI=1S/C29H31N3O3S/c1-18(2)17-34-24-7-5-6-23(14-24)27(33)32-29(36)30-16-20-8-10-21(11-9-20)28-31-25-15-22(19(3)4)12-13-26(25)35-28/h5-15,18-19H,16-17H2,1-4H3,(H2,30,32,33,36)