5-[6-(dimethylamino)hexylcarbamoylamino]-3-[(4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-[(4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-(p-tolylmethoxy)isothiazole-4-carboxylic acid CAS Name: 5-[[[6-(dimethylamino)hexylamino]-oxomethyl]amino]-3-[(4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-[(4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[6-(dimethylamino)hexylcarbamoylamino]-3-(4-methylbenzyl)oxy-isothiazole-4-carboxylic acid Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCCCCN(C)C

InChI

InChI=1S/C21H30N4O4S/c1-15-8-10-16(11-9-15)14-29-18-17(20(26)27)19(30-24-18)23-21(28)22-12-6-4-5-7-13-25(2)3/h8-11H,4-7,12-14H2,1-3H3,(H,26,27)(H2,22,23,28)