N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-(2-chloro-5-morpholinosulfonyl-phenyl)piperazine-1-carbothioamide CAS Name: N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-(2-chloro-5-morpholinosulfonyl-phenyl)piperazine-1-carbothioamide Formula: C28H31ClN4O3S2 MolecularWeight: 571.15374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=S)NC4=C(C=CC(=C4)S(=O)(=O)N5CCOCC5)Cl

InChI

InChI=1S/C28H31ClN4O3S2/c29-25-12-11-24(38(34,35)33-17-19-36-20-18-33)21-26(25)30-28(37)32-15-13-31(14-16-32)27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-12,21,27H,13-20H2,(H,30,37)