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

Systemtic Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]valeramide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)OC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)OC

InChI

InChI=1S/C23H27N3O3S/c1-5-6-7-21(27)26-23(30)25-17-13-16(9-10-19(17)28-4)22-24-18-12-15(14(2)3)8-11-20(18)29-22/h8-14H,5-7H2,1-4H3,(H2,25,26,27,30)