1-[(5-chloranylthiophen-2-yl)methyl]-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-prop-2-enyl-urea

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-1-prop-2-enyl-urea Openeye Name: 1-allyl-1-[(5-chloro-2-thienyl)methyl]-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]urea CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-3-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-1-prop-2-enylurea IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-1-prop-2-enylurea Traditional Name: 1-allyl-1-[(5-chloro-2-thienyl)methyl]-3-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]urea Formula: C20H28ClN4OS2+ MolecularWeight: 440.04552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)N(CC=C)CC2=CC=C(S2)Cl)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)N(CC=C)CC2=CC=C(S2)Cl)C3=CC=CS3

InChI

InChI=1S/C20H27ClN4OS2/c1-3-8-25(15-16-6-7-19(21)28-16)20(26)22-14-17(18-5-4-13-27-18)24-11-9-23(2)10-12-24/h3-7,13,17H,1,8-12,14-15H2,2H3,(H,22,26)/p+1/t17-/m1/s1