2-(phenylmethyl)-1-[4-[3-(4-piperazin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]guanidine

Systemtic Name: 2-(phenylmethyl)-1-[4-[3-(4-piperazin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]guanidine Openeye Name: 2-benzyl-1-[4-[3-(4-piperazin-1-ylbutoxy)phenyl]thiazol-2-yl]guanidine CAS Name: 2-(phenylmethyl)-1-[4-[3-[4-(1-piperazinyl)butoxy]phenyl]-2-thiazolyl]guanidine IUPAC Name: 2-benzyl-1-[4-[3-(4-piperazin-1-ylbutoxy)phenyl]-1,3-thiazol-2-yl]guanidine Traditional Name: 2-benzyl-1-[4-[3-(4-piperazinobutoxy)phenyl]thiazol-2-yl]guanidine Formula: C25H32N6OS MolecularWeight: 464.62618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCCOC2=CC=CC(=C2)C3=CSC(=N3)NC(=NCC4=CC=CC=C4)N

Isomeric SMILES

C1CN(CCN1)CCCCOC2=CC=CC(=C2)C3=CSC(=N3)NC(=NCC4=CC=CC=C4)N

InChI

InChI=1S/C25H32N6OS/c26-24(28-18-20-7-2-1-3-8-20)30-25-29-23(19-33-25)21-9-6-10-22(17-21)32-16-5-4-13-31-14-11-27-12-15-31/h1-3,6-10,17,19,27H,4-5,11-16,18H2,(H3,26,28,29,30)