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

Systemtic Name: 3-methyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-3-methyl-benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C

InChI

InChI=1S/C26H25N3O2S/c1-16(2)20-11-12-23-22(14-20)28-25(31-23)19-9-7-18(8-10-19)15-27-26(32)29-24(30)21-6-4-5-17(3)13-21/h4-14,16H,15H2,1-3H3,(H2,27,29,30,32)