2-chloranyl-N-[(2S)-4-methylsulfanyl-1-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-4-methylsulfanyl-1-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-3-methylsulfanyl-1-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamoyl]propyl]benzamide CAS Name: 2-chloro-N-[(2S)-4-(methylthio)-1-[[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-4-methylsulfanyl-1-[[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-3-(methylthio)-1-[[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]carbamoyl]propyl]benzamide Formula: C22H29ClN3O3S2+ MolecularWeight: 483.06696

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC(C1=CC=CS1)[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCC[C@@H](C(=O)NC[C@@H](C1=CC=CS1)[NH+]2CCOCC2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3O3S2/c1-30-14-8-18(25-21(27)16-5-2-3-6-17(16)23)22(28)24-15-19(20-7-4-13-31-20)26-9-11-29-12-10-26/h2-7,13,18-19H,8-12,14-15H2,1H3,(H,24,28)(H,25,27)/p+1/t18-,19-/m0/s1