N-[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C21H18N4O2S3 MolecularWeight: 454.58822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NC4=NC=CS4

InChI

InChI=1S/C21H18N4O2S3/c26-18(9-6-14-4-2-1-3-5-14)23-15-7-8-16-17(12-15)30-21(24-16)29-13-19(27)25-20-22-10-11-28-20/h1-5,7-8,10-12H,6,9,13H2,(H,23,26)(H,22,25,27)