S-[5-[(4-azanyl-2-phenyl-butanoyl)amino]-1H-indazol-3-yl] thiophene-2-carbothioate

Systemtic Name: S-[5-[(4-azanyl-2-phenyl-butanoyl)amino]-1H-indazol-3-yl] thiophene-2-carbothioate Openeye Name: S-[5-[(4-amino-2-phenyl-butanoyl)amino]-1H-indazol-3-yl] thiophene-2-carbothioate CAS Name: 2-thiophenecarbothioic acid S-[5-[(4-amino-1-oxo-2-phenylbutyl)amino]-1H-indazol-3-yl] ester IUPAC Name: S-[5-[(4-amino-2-phenylbutanoyl)amino]-1H-indazol-3-yl] thiophene-2-carbothioate Traditional Name: thiophene-2-carbothioic acid S-[5-[(4-amino-2-phenyl-butanoyl)amino]-1H-indazol-3-yl] ester Formula: C22H20N4O2S2 MolecularWeight: 436.5498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)C(=O)NC2=CC3=C(C=C2)NN=C3SC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)C(=O)NC2=CC3=C(C=C2)NN=C3SC(=O)C4=CC=CS4

InChI

InChI=1S/C22H20N4O2S2/c23-11-10-16(14-5-2-1-3-6-14)20(27)24-15-8-9-18-17(13-15)21(26-25-18)30-22(28)19-7-4-12-29-19/h1-9,12-13,16H,10-11,23H2,(H,24,27)(H,25,26)