N-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C17H24N6O4S3 MolecularWeight: 472.60526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O4S3/c1-3-4-7-18-16-19-20-17(29-16)28-15-6-5-13(12-14(15)23(24)25)30(26,27)22-10-8-21(2)9-11-22/h5-6,12H,3-4,7-11H2,1-2H3,(H,18,19)