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

Systemtic Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-butyl-thiourea Openeye Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-butyl-thiourea CAS Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-butylthiourea IUPAC Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-butylthiourea Traditional Name: 1-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-butyl-thiourea Formula: C24H31N5S2 MolecularWeight: 453.66644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N5S2/c1-2-3-13-25-24(30)26-20-10-8-19(9-11-20)12-14-28-15-17-29(18-16-28)23-21-6-4-5-7-22(21)31-27-23/h4-11H,2-3,12-18H2,1H3,(H2,25,26,30)