1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-thiourea

Systemtic Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-thiourea Openeye Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methyl-thiourea CAS Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-methylthiourea IUPAC Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-methylthiourea Traditional Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-methyl-thiourea Formula: C21H25N5S2 MolecularWeight: 411.5867

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=CC(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

CNC(=S)NC1=CC=CC(=C1)CCN2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H25N5S2/c1-22-21(27)23-17-6-4-5-16(15-17)9-10-25-11-13-26(14-12-25)20-18-7-2-3-8-19(18)28-24-20/h2-8,15H,9-14H2,1H3,(H2,22,23,27)