2-azanyl-N-(3-phenylsulfanylpropyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-azanyl-N-(3-phenylsulfanylpropyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-amino-N-(3-phenylsulfanylpropyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-amino-N-[3-(phenylthio)propyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-amino-N-(3-phenylsulfanylpropyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-amino-N-[3-(phenylthio)propyl]-1,3-benzothiazole-6-carboxamide Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)C2=CC3=C(C=C2)N=C(S3)N

InChI

InChI=1S/C17H17N3OS2/c18-17-20-14-8-7-12(11-15(14)23-17)16(21)19-9-4-10-22-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10H2,(H2,18,20)(H,19,21)