2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-thiazol-2-yl-propanamide CAS Name: 2-[[6-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-2-yl]thio]-N-(2-thiazolyl)propanamide IUPAC Name: 2-[[6-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 2-[[6-(hydrocinnamoylamino)-1,3-benzothiazol-2-yl]thio]-N-thiazol-2-yl-propionamide Formula: C22H20N4O2S3 MolecularWeight: 468.6148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CS1)SC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC=CS1)SC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S3/c1-14(20(28)26-21-23-11-12-29-21)30-22-25-17-9-8-16(13-18(17)31-22)24-19(27)10-7-15-5-3-2-4-6-15/h2-6,8-9,11-14H,7,10H2,1H3,(H,24,27)(H,23,26,28)