4-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide Openeye Name: 4-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide CAS Name: 4-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-1-piperazinecarboxamide IUPAC Name: 4-[[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-diethylpiperazine-1-carboxamide Traditional Name: 4-[[3-[(1,3-benzothiazol-2-ylthio)methyl]-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazine-1-carboxamide Formula: C21H29N7OS3 MolecularWeight: 491.69626

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCN(CC)C(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)CSC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H29N7OS3/c1-4-26(5-2)20(29)27-12-10-25(11-13-27)15-28-21(30)24(3)18(23-28)14-31-19-22-16-8-6-7-9-17(16)32-19/h6-9H,4-5,10-15H2,1-3H3