N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C27H21N3O2S2 MolecularWeight: 483.60454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NCC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3O2S2/c1-32-23-15-20-7-3-2-6-19(20)14-21(23)25(31)30-27(33)28-16-17-10-12-18(13-11-17)26-29-22-8-4-5-9-24(22)34-26/h2-15H,16H2,1H3,(H2,28,30,31,33)