N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C30H21N3O3S MolecularWeight: 503.57104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC6=CC=CC=C65

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=C(O4)C=CC6=CC=CC=C65

InChI

InChI=1S/C30H21N3O3S/c1-35-26-17-20-9-3-2-8-19(20)16-24(26)28(34)33-30(37)31-22-11-6-10-21(15-22)29-32-27-23-12-5-4-7-18(23)13-14-25(27)36-29/h2-17H,1H3,(H2,31,33,34,37)