5-(propan-2-ylamino)-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(propan-2-ylamino)-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(isopropylamino)-3-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(propan-2-ylamino)-3-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(propan-2-ylamino)-3-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isopropylamino)-3-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C15H24N5S3+ MolecularWeight: 370.57956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NN(C(=S)S1)CN2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(C)NC1=NN(C(=S)S1)CN2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C15H23N5S3/c1-12(2)16-14-17-20(15(21)23-14)11-19-6-4-18(5-7-19)9-13-3-8-22-10-13/h3,8,10,12H,4-7,9,11H2,1-2H3,(H,16,17)/p+1