N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C23H22ClN3O2S MolecularWeight: 439.95768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCCC4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C(=CC=C3)Cl)N4CCCC4

InChI

InChI=1S/C23H22ClN3O2S/c1-29-20-14-16-8-3-2-7-15(16)13-17(20)22(28)26-23(30)25-19-10-6-9-18(24)21(19)27-11-4-5-12-27/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H2,25,26,28,30)