N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(phenoxymethyl)benzamide

Systemtic Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(phenoxymethyl)benzamide Openeye Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(phenoxymethyl)benzamide CAS Name: N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(phenoxymethyl)benzamide IUPAC Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-(phenoxymethyl)benzamide Traditional Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-(phenoxymethyl)benzamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)COC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)COC5=CC=CC=C5)C

InChI

InChI=1S/C30H25N3O3S/c1-19-8-11-23(16-20(19)2)29-32-26-17-24(14-15-27(26)36-29)31-30(37)33-28(34)22-12-9-21(10-13-22)18-35-25-6-4-3-5-7-25/h3-17H,18H2,1-2H3,(H2,31,33,34,37)