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

Systemtic Name: N-(4-phenylmethoxyphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(4-phenylmethoxyphenyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-phenylmethoxyphenyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C24H27N3OS2 MolecularWeight: 437.62068

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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=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C24H27N3OS2/c29-24(27-13-4-12-26(14-15-27)17-21-11-16-30-19-21)25-22-7-9-23(10-8-22)28-18-20-5-2-1-3-6-20/h1-3,5-11,16,19H,4,12-15,17-18H2,(H,25,29)