N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]propanamide CAS Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)CC

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)CC

InChI

InChI=1S/C21H23N3O2S/c1-4-13(3)14-9-10-18-17(12-14)23-20(26-18)15-7-6-8-16(11-15)22-21(27)24-19(25)5-2/h6-13H,4-5H2,1-3H3,(H2,22,24,25,27)/t13-/m0/s1