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

Systemtic Name: N-(methoxymethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(methoxymethyl)-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(methoxymethyl)-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(methoxymethyl)-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(methoxymethyl)-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C13H21N3OS2 MolecularWeight: 299.45534

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Descriptors Computed from Structure

Canonical SMILES:

COCNC(=S)N1CCCN(CC1)CC2=CSC=C2

Isomeric SMILES

COCNC(=S)N1CCCN(CC1)CC2=CSC=C2

InChI

InChI=1S/C13H21N3OS2/c1-17-11-14-13(18)16-5-2-4-15(6-7-16)9-12-3-8-19-10-12/h3,8,10H,2,4-7,9,11H2,1H3,(H,14,18)