(E)-3-phenyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]prop-2-enamide Openeye Name: (E)-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-3-phenyl-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]prop-2-enamide Traditional Name: (E)-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)CNC(=S)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2S/c1-18(2)22-13-14-24-23(16-22)29-26(32-24)21-11-8-20(9-12-21)17-28-27(33)30-25(31)15-10-19-6-4-3-5-7-19/h3-16,18H,17H2,1-2H3,(H2,28,30,31,33)/b15-10+