N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C27H18ClN3O4S MolecularWeight: 515.96752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=C(C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C27H18ClN3O4S/c1-35-23-13-16-7-3-2-6-15(16)12-20(23)24(32)30-27(36)29-22-11-10-17(14-21(22)28)31-25(33)18-8-4-5-9-19(18)26(31)34/h2-14H,1H3,(H2,29,30,32,36)