N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(3-chloro-4-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=CC(=C(C=C3)N4CCCC4)Cl

Isomeric SMILES

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

InChI

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