(3S)-3-(aminocarbonylamino)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-2-yl-propanamide

Systemtic Name: (3S)-3-(aminocarbonylamino)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-2-yl-propanamide Openeye Name: (3S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-thienyl)-3-ureido-propanamide CAS Name: (3S)-3-(carbamoylamino)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: (3S)-3-(carbamoylamino)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-2-ylpropanamide Traditional Name: (3S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-thienyl)-3-ureido-propionamide Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-14-12-15(25-9-7-24(2)8-10-25)5-6-16(14)22-19(26)13-17(23-20(21)27)18-4-3-11-28-18/h3-6,11-12,17H,7-10,13H2,1-2H3,(H,22,26)(H3,21,23,27)/p+1/t17-/m0/s1