N-[4-(2,1-benzothiazol-3-ylcarbonylamino)butyl]-5-chloranyl-2,1-benzothiazole-3-carboxamide

Systemtic Name: N-[4-(2,1-benzothiazol-3-ylcarbonylamino)butyl]-5-chloranyl-2,1-benzothiazole-3-carboxamide Openeye Name: N-[4-(2,1-benzothiazole-3-carbonylamino)butyl]-5-chloro-2,1-benzothiazole-3-carboxamide CAS Name: N-[4-[[2,1-benzothiazol-3-yl(oxo)methyl]amino]butyl]-5-chloro-2,1-benzothiazole-3-carboxamide IUPAC Name: N-[4-(2,1-benzothiazole-3-carbonylamino)butyl]-5-chloro-2,1-benzothiazole-3-carboxamide Traditional Name: N-[4-(2,1-benzothiazole-3-carbonylamino)butyl]-5-chloro-2,1-benzothiazole-3-carboxamide Formula: C20H17ClN4O2S2 MolecularWeight: 444.95758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(SN=C2C=C1)C(=O)NCCCCNC(=O)C3=C4C=C(C=CC4=NS3)Cl

Isomeric SMILES

C1=CC2=C(SN=C2C=C1)C(=O)NCCCCNC(=O)C3=C4C=C(C=CC4=NS3)Cl

InChI

InChI=1S/C20H17ClN4O2S2/c21-12-7-8-16-14(11-12)18(29-25-16)20(27)23-10-4-3-9-22-19(26)17-13-5-1-2-6-15(13)24-28-17/h1-2,5-8,11H,3-4,9-10H2,(H,22,26)(H,23,27)