4-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(E)-2-thienylmethyleneamino]thiazol-2-amine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-2-thiazolamine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]thiazol-2-yl]-[(E)-2-thenylideneamino]amine Formula: C20H22N4O2S3 MolecularWeight: 446.60928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)NN=CC4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=N3)N/N=C/C4=CC=CS4

InChI

InChI=1S/C20H22N4O2S3/c25-29(26,24-11-3-1-2-4-12-24)18-9-7-16(8-10-18)19-15-28-20(22-19)23-21-14-17-6-5-13-27-17/h5-10,13-15H,1-4,11-12H2,(H,22,23)/b21-14+