4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-furylmethyl)thiazol-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N-(2-furanylmethyl)-2-thiazolamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-(2-furfuryl)amine Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NCC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NCC4=CC=CO4

InChI

InChI=1S/C20H23N3O3S2/c24-28(25,23-11-3-1-2-4-12-23)18-9-7-16(8-10-18)19-15-27-20(22-19)21-14-17-6-5-13-26-17/h5-10,13,15H,1-4,11-12,14H2,(H,21,22)