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

Systemtic Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]hexanamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]hexanamide CAS Name: N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]hexanamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]hexanamide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)NCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C

InChI

InChI=1S/C24H29N3O2S/c1-4-5-6-7-22(28)27-24(30)25-15-17-8-10-18(11-9-17)23-26-20-14-19(16(2)3)12-13-21(20)29-23/h8-14,16H,4-7,15H2,1-3H3,(H2,25,27,28,30)