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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)C

InChI

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