N-(4-phenylmethoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-phenylmethoxyphenyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C23H26N4OS2 MolecularWeight: 438.60874

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=NC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=NC=CS4

InChI

InChI=1S/C23H26N4OS2/c29-23(27-13-4-12-26(14-15-27)17-22-24-11-16-30-22)25-20-7-9-21(10-8-20)28-18-19-5-2-1-3-6-19/h1-3,5-11,16H,4,12-15,17-18H2,(H,25,29)