2-[4-[[(3aR,6aR)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-[4-[[(3aR,6aR)-5,5-bis(oxidanylidene)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-[4-[[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-[4-[[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[4-[[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[4-[[(3aR,6aR)-5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]amino]phenyl]-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C20H29N4O4S2+ MolecularWeight: 453.59866

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CC2=CC=C(C=C2)NC3=NC4CS(=O)(=O)CC4S3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CC2=CC=C(C=C2)NC3=N[C@@H]4CS(=O)(=O)C[C@@H]4S3

InChI

InChI=1S/C20H28N4O4S2/c25-19(21-6-1-7-24-8-10-28-11-9-24)12-15-2-4-16(5-3-15)22-20-23-17-13-30(26,27)14-18(17)29-20/h2-5,17-18H,1,6-14H2,(H,21,25)(H,22,23)/p+1/t17-,18+/m1/s1