N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3-allyl-6-butyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-butyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3-allyl-6-butyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H29N3O3S3 MolecularWeight: 503.70036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC=C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)CC=C

InChI

InChI=1S/C24H29N3O3S3/c1-3-5-9-18-12-13-19-21(17-18)32-24(26(19)14-4-2)25-23(28)20-10-6-7-15-27(20)33(29,30)22-11-8-16-31-22/h4,8,11-13,16-17,20H,2-3,5-7,9-10,14-15H2,1H3