S-[5-[(2-ethoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate

Systemtic Name: S-[5-[(2-ethoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Openeye Name: S-[5-[(2-ethoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate CAS Name: butanethioic acid S-[5-[[(2-ethoxyanilino)-sulfanylidenemethyl]amino]-1,3,4-thiadiazol-2-yl] ester IUPAC Name: S-[5-[(2-ethoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate Traditional Name: butanethioic acid S-[5-(o-phenetylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl] ester Formula: C15H18N4O2S3 MolecularWeight: 382.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2OCC

Isomeric SMILES

CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2OCC

InChI

InChI=1S/C15H18N4O2S3/c1-3-7-12(20)23-15-19-18-14(24-15)17-13(22)16-10-8-5-6-9-11(10)21-4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,16,17,18,22)