2-[[4-(dihexylamino)-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: 2-[[4-(dihexylamino)-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: 2-[[4-(dihexylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: 2-[[4-(dihexylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: 2-[[4-(dihexylamino)-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: 2-[[4-(dihexylamino)-1,1-diketo-1,2,5-thiadiazol-3-yl]amino]-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C26H41N5O6S MolecularWeight: 551.69864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=NS(=O)(=O)N=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C1=NS(=O)(=O)N=C1NC(CC2=CC=C(C=C2)OC(=O)N(C)C)C(=O)O

InChI

InChI=1S/C26H41N5O6S/c1-5-7-9-11-17-31(18-12-10-8-6-2)24-23(28-38(35,36)29-24)27-22(25(32)33)19-20-13-15-21(16-14-20)37-26(34)30(3)4/h13-16,22H,5-12,17-19H2,1-4H3,(H,27,28)(H,32,33)