2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide

Systemtic Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide Openeye Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-[4-(2-thienyl)thiazol-2-yl]butanamide CAS Name: 2-[[3-(1-oxobutylamino)phenyl]thio]-N-(4-thiophen-2-yl-2-thiazolyl)butanamide IUPAC Name: 2-[3-(butanoylamino)phenyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide Traditional Name: 2-[(3-butyramidophenyl)thio]-N-[4-(2-thienyl)thiazol-2-yl]butyramide Formula: C21H23N3O2S3 MolecularWeight: 445.62122

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=NC(=CS2)C3=CC=CS3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(CC)C(=O)NC2=NC(=CS2)C3=CC=CS3

InChI

InChI=1S/C21H23N3O2S3/c1-3-7-19(25)22-14-8-5-9-15(12-14)29-17(4-2)20(26)24-21-23-16(13-28-21)18-10-6-11-27-18/h5-6,8-13,17H,3-4,7H2,1-2H3,(H,22,25)(H,23,24,26)