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

Systemtic Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]pentanamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]pentanamide CAS Name: N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]pentanamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]valeramide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-4-5-6-21(27)26-23(29)24-14-16-7-9-17(10-8-16)22-25-19-13-18(15(2)3)11-12-20(19)28-22/h7-13,15H,4-6,14H2,1-3H3,(H2,24,26,27,29)