8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine

Systemtic Name: 8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-isobutoxyphenyl)-8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-methoxy-2-[4-(2-methylpropoxy)phenyl]-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-isobutoxyphenyl)-8-methoxy-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C23H23N3O2S/c1-15(2)14-28-17-8-6-16(7-9-17)22-25-20-13-18(27-3)10-11-19(20)24-23(26-22)21-5-4-12-29-21/h4-13,15H,14H2,1-3H3,(H,24,25,26)