N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: 3,5-dimethyl-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: 3,5-dimethyl-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-5-18(4)20-8-11-24-23(15-20)29-26(32-24)19-6-9-22(10-7-19)28-27(33)30-25(31)21-13-16(2)12-17(3)14-21/h6-15,18H,5H2,1-4H3,(H2,28,30,31,33)