1-(6-cyano-1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea

Systemtic Name: 1-(6-cyano-1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea Openeye Name: 1-(6-cyano-1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea CAS Name: 1-(6-cyano-1,3-benzothiazol-2-yl)-3-[3-(4-methyl-1-piperazinyl)propyl]urea IUPAC Name: 1-(6-cyano-1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea Traditional Name: 1-(6-cyano-1,3-benzothiazol-2-yl)-3-[3-(4-methylpiperazino)propyl]urea Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

Isomeric SMILES

CN1CCN(CC1)CCCNC(=O)NC2=NC3=C(S2)C=C(C=C3)C#N

InChI

InChI=1S/C17H22N6OS/c1-22-7-9-23(10-8-22)6-2-5-19-16(24)21-17-20-14-4-3-13(12-18)11-15(14)25-17/h3-4,11H,2,5-10H2,1H3,(H2,19,20,21,24)