2-(4-tert-butylphenyl)-4-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-(4-tert-butylphenyl)-4-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-(4-tert-butylphenyl)-4-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-(4-tert-butylphenyl)-4-[4-(6-quinoxalinylmethyl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-(4-tert-butylphenyl)-4-[4-(quinoxalin-6-ylmethyl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-(4-tert-butylphenyl)-4-[4-(quinoxalin-6-ylmethyl)piperazino]-1,3-benzothiazole Formula: C30H31N5S MolecularWeight: 493.66564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3S2)N4CCN(CC4)CC5=CC6=NC=CN=C6C=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3S2)N4CCN(CC4)CC5=CC6=NC=CN=C6C=C5

InChI

InChI=1S/C30H31N5S/c1-30(2,3)23-10-8-22(9-11-23)29-33-28-26(5-4-6-27(28)36-29)35-17-15-34(16-18-35)20-21-7-12-24-25(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3