[4-[[3,4-dimethyl-5-(3-oxidanylpropylcarbamoyl)-1,3-thiazol-2-ylidene]carbamoyl]phenyl] methanimidothioate

Systemtic Name: [4-[[3,4-dimethyl-5-(3-oxidanylpropylcarbamoyl)-1,3-thiazol-2-ylidene]carbamoyl]phenyl] methanimidothioate Openeye Name: [4-[[5-(3-hydroxypropylcarbamoyl)-3,4-dimethyl-thiazol-2-ylidene]carbamoyl]phenyl] methanimidothioate CAS Name: methanimidothioic acid [4-[[[5-[(3-hydroxypropylamino)-oxomethyl]-3,4-dimethyl-2-thiazolylidene]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[5-(3-hydroxypropylcarbamoyl)-3,4-dimethyl-1,3-thiazol-2-ylidene]carbamoyl]phenyl] methanimidothioate Traditional Name: thioformimidic acid [4-[[5-(3-hydroxypropylcarbamoyl)-3,4-dimethyl-4-thiazolin-2-ylidene]carbamoyl]phenyl] ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C)C(=O)NCCCO

Isomeric SMILES

CC1=C(SC(=NC(=O)C2=CC=C(C=C2)SC=N)N1C)C(=O)NCCCO

InChI

InChI=1S/C17H20N4O3S2/c1-11-14(16(24)19-8-3-9-22)26-17(21(11)2)20-15(23)12-4-6-13(7-5-12)25-10-18/h4-7,10,18,22H,3,8-9H2,1-2H3,(H,19,24)