1-(2-methoxyethyl)-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea

Systemtic Name: 1-(2-methoxyethyl)-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea CAS Name: 1-(2-methoxyethyl)-3-[(Z)-1-[4-(1-piperazin-4-iumylsulfonyl)phenyl]ethylideneamino]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea Traditional Name: 1-(2-methoxyethyl)-3-[(Z)-1-(4-piperazin-4-ium-1-ylsulfonylphenyl)ethylideneamino]thiourea Formula: C16H26N5O3S2+ MolecularWeight: 400.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCCOC)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

Isomeric SMILES

C/C(=N/NC(=S)NCCOC)/C1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C16H25N5O3S2/c1-13(19-20-16(25)18-9-12-24-2)14-3-5-15(6-4-14)26(22,23)21-10-7-17-8-11-21/h3-6,17H,7-12H2,1-2H3,(H2,18,20,25)/p+1/b19-13-