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

Systemtic Name: N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Openeye Name: N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[[3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]butyramide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-4-6-19(25)24-21(27)22-16-8-5-7-15(11-16)20-23-17-12-14(13(2)3)9-10-18(17)26-20/h5,7-13H,4,6H2,1-3H3,(H2,22,24,25,27)