[1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate

Systemtic Name: [1-oxidanylidene-1-(pyridin-4-ylamino)butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Openeye Name: 1-(4-pyridylcarbamoyl)propyl 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate CAS Name: 8-(1,3-benzothiazol-2-yl)-1-naphthalenecarboxylic acid [1-oxo-1-(pyridin-4-ylamino)butan-2-yl] ester IUPAC Name: [1-oxo-1-(pyridin-4-ylamino)butan-2-yl] 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylate Traditional Name: 8-(1,3-benzothiazol-2-yl)naphthalene-1-carboxylic acid 1-(4-pyridylcarbamoyl)propyl ester Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=NC=C1)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC(C(=O)NC1=CC=NC=C1)OC(=O)C2=CC=CC3=C2C(=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3O3S/c1-2-22(25(31)29-18-13-15-28-16-14-18)33-27(32)20-10-6-8-17-7-5-9-19(24(17)20)26-30-21-11-3-4-12-23(21)34-26/h3-16,22H,2H2,1H3,(H,28,29,31)