[1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate

Systemtic Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxidanylidene-butan-2-yl] 4-(1H-imidazol-2-yl)benzoate Openeye Name: 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl 4-(1H-imidazol-2-yl)benzoate CAS Name: 4-(1H-imidazol-2-yl)benzoic acid [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylamino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate Traditional Name: 4-(1H-imidazol-2-yl)benzoic acid 1-(1,3-benzothiazol-2-ylcarbamoyl)propyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)C4=NC=CN4

Isomeric SMILES

CCC(C(=O)NC1=NC2=CC=CC=C2S1)OC(=O)C3=CC=C(C=C3)C4=NC=CN4

InChI

InChI=1S/C21H18N4O3S/c1-2-16(19(26)25-21-24-15-5-3-4-6-17(15)29-21)28-20(27)14-9-7-13(8-10-14)18-22-11-12-23-18/h3-12,16H,2H2,1H3,(H,22,23)(H,24,25,26)