N-(3-imidazol-1-ylpropyl)-3-methoxy-4-phenylmethoxy-benzenecarbothioamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-3-methoxy-4-phenylmethoxy-benzenecarbothioamide Openeye Name: 4-benzyloxy-N-(3-imidazol-1-ylpropyl)-3-methoxy-benzenecarbothioamide CAS Name: N-[3-(1-imidazolyl)propyl]-3-methoxy-4-phenylmethoxybenzenecarbothioamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-3-methoxy-4-phenylmethoxybenzenecarbothioamide Traditional Name: 4-benzoxy-N-(3-imidazol-1-ylpropyl)-3-methoxy-thiobenzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=S)NCCCN2C=CN=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=S)NCCCN2C=CN=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S/c1-25-20-14-18(21(27)23-10-5-12-24-13-11-22-16-24)8-9-19(20)26-15-17-6-3-2-4-7-17/h2-4,6-9,11,13-14,16H,5,10,12,15H2,1H3,(H,23,27)