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

Systemtic Name: 4-ethyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide CAS Name: 4-ethyl-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

InChI

InChI=1S/C27H27N3O2S/c1-4-18-5-9-20(10-6-18)25(31)30-27(33)28-16-19-7-11-21(12-8-19)26-29-23-15-22(17(2)3)13-14-24(23)32-26/h5-15,17H,4,16H2,1-3H3,(H2,28,30,31,33)