[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: 1-[(4-carbamoylphenyl)carbamoyl]propyl 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [1-(4-carbamoylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid 1-[(4-carbamoylphenyl)carbamoyl]propyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H21N3O4S/c1-2-20(23(30)27-16-13-11-15(12-14-16)22(26)29)32-25(31)18-8-4-3-7-17(18)24-28-19-9-5-6-10-21(19)33-24/h3-14,20H,2H2,1H3,(H2,26,29)(H,27,30)