3-chloranyl-N-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxidanylidene-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxo-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-[(4-methyl-1-piperazin-4-iumyl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-[(4-methylpiperazin-4-ium-1-yl)amino]-2-oxoethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[(4-methylpiperazin-4-ium-1-yl)amino]ethyl]benzothiophene-2-carboxamide Formula: C16H20ClN4O2S+ MolecularWeight: 367.8736

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H19ClN4O2S/c1-20-6-8-21(9-7-20)19-13(22)10-18-16(23)15-14(17)11-4-2-3-5-12(11)24-15/h2-5H,6-10H2,1H3,(H,18,23)(H,19,22)/p+1