2-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]-1,2-thiazol-3-one

Systemtic Name: 2-butyl-1,1-bis(oxidanylidene)-5-phenyl-4-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]amino]-1,2-thiazol-3-one Openeye Name: 4-[4-(4-benzylpiperazin-1-yl)anilino]-2-butyl-1,1-dioxo-5-phenyl-isothiazol-3-one CAS Name: 2-butyl-1,1-dioxo-5-phenyl-4-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]-3-isothiazolone IUPAC Name: 4-[4-(4-benzylpiperazin-1-yl)anilino]-2-butyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-one Traditional Name: 4-[4-(4-benzylpiperazino)anilino]-2-butyl-1,1-diketo-5-phenyl-isothiazol-3-one Formula: C30H34N4O3S MolecularWeight: 530.68096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)NC3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H34N4O3S/c1-2-3-18-34-30(35)28(29(38(34,36)37)25-12-8-5-9-13-25)31-26-14-16-27(17-15-26)33-21-19-32(20-22-33)23-24-10-6-4-7-11-24/h4-17,31H,2-3,18-23H2,1H3