(2S)-3-azanyl-5-(2,6-dimethylphenyl)imino-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-N-phenyl-2H-thiophene-2-carboxamide

Systemtic Name: (2S)-3-azanyl-5-(2,6-dimethylphenyl)imino-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-N-phenyl-2H-thiophene-2-carboxamide Openeye Name: (2S)-3-amino-5-(2,6-dimethylphenyl)imino-4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenyl-2H-thiophene-2-carboxamide CAS Name: (2S)-3-amino-5-(2,6-dimethylphenyl)imino-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-N-phenyl-2H-thiophene-2-carboxamide IUPAC Name: (2S)-3-amino-5-(2,6-dimethylphenyl)imino-4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenyl-2H-thiophene-2-carboxamide Traditional Name: (2S)-3-amino-5-(2,6-dimethylphenyl)imino-4-(4-methylpiperazin-4-ium-1-carbonyl)-N-phenyl-2H-thiophene-2-carboxamide Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C2C(=C(C(S2)C(=O)NC3=CC=CC=C3)N)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C2C(=C([C@H](S2)C(=O)NC3=CC=CC=C3)N)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N5O2S/c1-16-8-7-9-17(2)21(16)28-24-19(25(32)30-14-12-29(3)13-15-30)20(26)22(33-24)23(31)27-18-10-5-4-6-11-18/h4-11,22H,12-15,26H2,1-3H3,(H,27,31)/p+1/t22-/m0/s1