ethyl 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[(3-methoxynaphthalen-2-yl)carbonylcarbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioyl-(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[[[(3-methoxy-2-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methoxynaphthalene-2-carbonyl)carbamothioyl-(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[(3-methoxy-2-naphthoyl)thiocarbamoyl-(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C3=CC4=CC=CC=C4C=C3OC

InChI

InChI=1S/C28H25N3O4S/c1-3-35-27(33)20-10-12-23(13-11-20)31(18-19-7-6-14-29-17-19)28(36)30-26(32)24-15-21-8-4-5-9-22(21)16-25(24)34-2/h4-17H,3,18H2,1-2H3,(H,30,32,36)