N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C29H18ClN3O2S MolecularWeight: 507.99012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=C5C=CC=C6Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC6=C5C=CC=C6Cl

InChI

InChI=1S/C29H18ClN3O2S/c30-24-13-5-9-20-21(24)10-4-12-23(20)28-32-25-16-18(14-15-26(25)35-28)31-29(36)33-27(34)22-11-3-7-17-6-1-2-8-19(17)22/h1-16H,(H2,31,33,34,36)