1-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea

Systemtic Name: 1-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea Openeye Name: 1-[2-tert-butyl-5-(1-piperidyl)-1,3-benzothiazol-6-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea CAS Name: 1-[2-tert-butyl-5-(1-piperidinyl)-1,3-benzothiazol-6-yl]-3-[3-(4-methyl-1-piperazinyl)propyl]thiourea IUPAC Name: 1-(2-tert-butyl-5-piperidin-1-yl-1,3-benzothiazol-6-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]thiourea Traditional Name: 1-(2-tert-butyl-5-piperidino-1,3-benzothiazol-6-yl)-3-[3-(4-methylpiperazino)propyl]thiourea Formula: C25H40N6S2 MolecularWeight: 488.7553

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)NCCCN3CCN(CC3)C)N4CCCCC4

Isomeric SMILES

CC(C)(C)C1=NC2=CC(=C(C=C2S1)NC(=S)NCCCN3CCN(CC3)C)N4CCCCC4

InChI

InChI=1S/C25H40N6S2/c1-25(2,3)23-27-20-17-21(31-11-6-5-7-12-31)19(18-22(20)33-23)28-24(32)26-9-8-10-30-15-13-29(4)14-16-30/h17-18H,5-16H2,1-4H3,(H2,26,28,32)