N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 2-methoxy-3-methyl-N-[[4-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]benzamide CAS Name: N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-[5-[(2S)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 2-methoxy-3-methyl-N-[[4-[5-[(1S)-1-methylpropyl]-1,3-benzoxazol-2-yl]phenyl]thiocarbamoyl]benzamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC

Isomeric SMILES

CC[C@H](C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)C)OC

InChI

InChI=1S/C27H27N3O3S/c1-5-16(2)19-11-14-23-22(15-19)29-26(33-23)18-9-12-20(13-10-18)28-27(34)30-25(31)21-8-6-7-17(3)24(21)32-4/h6-16H,5H2,1-4H3,(H2,28,30,31,34)/t16-/m0/s1