4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-benzyl-4-(4-morpholinosulfonyl-2-nitro-phenyl)piperazine-1-carbothioamide Formula: C22H27N5O5S2 MolecularWeight: 505.61028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C(=S)NCC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O5S2/c28-27(29)21-16-19(34(30,31)26-12-14-32-15-13-26)6-7-20(21)24-8-10-25(11-9-24)22(33)23-17-18-4-2-1-3-5-18/h1-7,16H,8-15,17H2,(H,23,33)