3-[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]acetyl]anilino)propionamide Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

Isomeric SMILES

CCCCNC1=NN=C(S1)SCC(=O)N(CCC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C17H23N5O2S2/c1-2-3-10-19-16-20-21-17(26-16)25-12-15(24)22(11-9-14(18)23)13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3,(H2,18,23)(H,19,20)