N-[(2S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]ethyl]thiophene-2-carboxamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C(C)NC(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@H](C)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O2S/c1-14-13-16(24-10-8-23(3)9-11-24)6-7-17(14)22-19(25)15(2)21-20(26)18-5-4-12-27-18/h4-7,12-13,15H,8-11H2,1-3H3,(H,21,26)(H,22,25)/p+1/t15-/m0/s1