2-(4-tert-butylphenyl)-7-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole

Systemtic Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole Openeye Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole CAS Name: 2-(4-tert-butylphenyl)-7-[4-(2-quinoxalinylmethyl)-1-piperazinyl]-1,3-benzothiazole IUPAC Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-2-ylmethyl)piperazin-1-yl]-1,3-benzothiazole Traditional Name: 2-(4-tert-butylphenyl)-7-[4-(quinoxalin-2-ylmethyl)piperazino]-1,3-benzothiazole Formula: C30H31N5S MolecularWeight: 493.66564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(S2)C(=CC=C3)N4CCN(CC4)CC5=NC6=CC=CC=C6N=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(S2)C(=CC=C3)N4CCN(CC4)CC5=NC6=CC=CC=C6N=C5

InChI

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