N-[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S2/c1-17(30)19-8-10-20(11-9-19)27-25(32)16-33-26-29-22-13-12-21(15-23(22)34-26)28-24(31)14-7-18-5-3-2-4-6-18/h2-6,8-13,15H,7,14,16H2,1H3,(H,27,32)(H,28,31)