1-[3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]urea IUPAC Name: [3-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C17H20N4O2S/c18-17(23)19-15-3-1-2-14(10-15)16(22)21-7-5-20(6-8-21)11-13-4-9-24-12-13/h1-4,9-10,12H,5-8,11H2,(H3,18,19,23)/p+1