1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-[3-[(5-sulfanyl-3H-1,2,3-thiadiazol-2-yl)sulfanyl]propyl]urea

Systemtic Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-[3-[(5-sulfanyl-3H-1,2,3-thiadiazol-2-yl)sulfanyl]propyl]urea Openeye Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-[3-[(5-sulfanyl-3H-thiadiazol-2-yl)sulfanyl]propyl]urea CAS Name: 1-[3-[(5-mercapto-3H-thiadiazol-2-yl)thio]propyl]-3-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)urea IUPAC Name: 1-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-3-[3-[(5-sulfanyl-3H-thiadiazol-2-yl)sulfanyl]propyl]urea Traditional Name: 1-[3-[(5-mercapto-3H-thiadiazol-2-yl)thio]propyl]-3-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)urea Formula: C19H22N5OS3+ MolecularWeight: 432.60588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NCCCSN3NC=C(S3)S)CC#C

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NCCCSN3NC=C(S3)S)CC#C

InChI

InChI=1S/C19H21N5OS3/c1-3-10-23-14(2)5-6-15-12-16(7-8-17(15)23)22-19(25)20-9-4-11-27-24-21-13-18(26)28-24/h1,5-8,12-13,21H,4,9-11H2,2H3,(H2-,20,22,25,26)/p+1