N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-phenoxyphenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-phenoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-phenoxyphenyl)-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C21H21N3O3S3 MolecularWeight: 459.60474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N3O3S3/c25-30(26,20-7-4-16-29-20)24-14-12-23(13-15-24)21(28)22-17-8-10-19(11-9-17)27-18-5-2-1-3-6-18/h1-11,16H,12-15H2,(H,22,28)