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

Systemtic Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethyl-thiourea Openeye Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethyl-thiourea CAS Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-3-ethylthiourea IUPAC Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-3-ethylthiourea Traditional Name: 1-[3-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-3-ethyl-thiourea Formula: C22H27N5S2 MolecularWeight: 425.61328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S2/c1-2-23-22(28)24-18-7-5-6-17(16-18)10-11-26-12-14-27(15-13-26)21-19-8-3-4-9-20(19)29-25-21/h3-9,16H,2,10-15H2,1H3,(H2,23,24,28)