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

Systemtic Name: N-[4-(diethylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-(diethylamino)phenyl]-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[4-(diethylamino)phenyl]-4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(diethylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H31N5S2 MolecularWeight: 417.63434

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CSC(=N3)C

InChI

InChI=1S/C21H31N5S2/c1-4-25(5-2)20-9-7-18(8-10-20)23-21(27)26-12-6-11-24(13-14-26)15-19-16-28-17(3)22-19/h7-10,16H,4-6,11-15H2,1-3H3,(H,23,27)