N-cyclopropyl-N-[5-sulfanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazol-2-yl]propanamide

Systemtic Name: N-cyclopropyl-N-[5-sulfanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazol-2-yl]propanamide Openeye Name: N-cyclopropyl-N-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]propanamide CAS Name: N-cyclopropyl-N-[5-sulfanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: N-cyclopropyl-N-[5-sulfanylidene-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3,4-thiadiazol-2-yl]propanamide Traditional Name: N-cyclopropyl-N-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-5-thioxo-1,3,4-thiadiazol-2-yl]propionamide Formula: C18H23N4OS2+ MolecularWeight: 375.53142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CC1)C2=NN(C(=S)S2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(=O)N(C1CC1)C2=NN(C(=S)S2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H22N4OS2/c1-2-16(23)22(15-7-8-15)17-19-21(18(24)25-17)12-20-10-9-13-5-3-4-6-14(13)11-20/h3-6,15H,2,7-12H2,1H3/p+1