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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-14(2)11-21(27)26-23(29)24-13-16-5-7-17(8-6-16)22-25-19-12-18(15(3)4)9-10-20(19)28-22/h5-10,12,14-15H,11,13H2,1-4H3,(H2,24,26,27,29)