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N-[(4-octylphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide

N-[(4-octylphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide

Systemtic Name:N-[(4-octylphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide
Openeye Name:N-[(4-octylphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide
CAS Name:N-[(4-octylanilino)-sulfanylidenemethyl]-1,3-benzothiazole-2-carboxamide
IUPAC Name:N-[(4-octylphenyl)carbamothioyl]-1,3-benzothiazole-2-carboxamide
Traditional Name:N-[(4-octylphenyl)thiocarbamoyl]-1,3-benzothiazole-2-carboxamide
Formula: C23H27N3OS2
MolecularWeight: 425.60998
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC3=CC=CC=C3S2


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=NC3=CC=CC=C3S2


InChI

InChI=1S/C23H27N3OS2/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-23(28)26-21(27)22-25-19-11-8-9-12-20(19)29-22/h8-9,11-16H,2-7,10H2,1H3,(H2,24,26,27,28)


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