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

Systemtic Name: N-[4-(diethylamino)phenyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-(3-thienylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-(3-thiophenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-(thiophen-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-(3-thenyl)-1,4-diazepane-1-carbothioamide Formula: C21H30N4S2 MolecularWeight: 402.6197

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CSC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H30N4S2/c1-3-24(4-2)20-8-6-19(7-9-20)22-21(26)25-12-5-11-23(13-14-25)16-18-10-15-27-17-18/h6-10,15,17H,3-5,11-14,16H2,1-2H3,(H,22,26)