4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide CAS Name: 4-(1-azepanylsulfonyl)-N-(1,3-benzothiazol-2-yl)-1-piperazinecarboxamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)piperazine-1-carboxamide Formula: C18H25N5O3S2 MolecularWeight: 423.5528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H25N5O3S2/c24-18(20-17-19-15-7-3-4-8-16(15)27-17)21-11-13-23(14-12-21)28(25,26)22-9-5-1-2-6-10-22/h3-4,7-8H,1-2,5-6,9-14H2,(H,19,20,24)