N-[4-(diethylamino)phenyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[4-(diethylamino)phenyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H29N5S2 MolecularWeight: 403.60776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C20H29N5S2/c1-3-24(4-2)18-8-6-17(7-9-18)22-20(26)25-12-5-11-23(13-14-25)16-19-21-10-15-27-19/h6-10,15H,3-5,11-14,16H2,1-2H3,(H,22,26)