5-(4-tert-butylphenyl)-7-methyl-1-prop-2-enyl-3H-thieno[2,3-e][1,4]diazepin-2-one

Systemtic Name: 5-(4-tert-butylphenyl)-7-methyl-1-prop-2-enyl-3H-thieno[2,3-e][1,4]diazepin-2-one Openeye Name: 1-allyl-5-(4-tert-butylphenyl)-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one CAS Name: 5-(4-tert-butylphenyl)-7-methyl-1-prop-2-enyl-3H-thieno[2,3-e][1,4]diazepin-2-one IUPAC Name: 5-(4-tert-butylphenyl)-7-methyl-1-prop-2-enyl-3H-thieno[2,3-e][1,4]diazepin-2-one Traditional Name: 1-allyl-5-(4-tert-butylphenyl)-7-methyl-3H-thieno[2,3-e][1,4]diazepin-2-one Formula: C21H24N2OS MolecularWeight: 352.49306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=C(C=C3)C(C)(C)C)CC=C

Isomeric SMILES

CC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=C(C=C3)C(C)(C)C)CC=C

InChI

InChI=1S/C21H24N2OS/c1-6-11-23-18(24)13-22-19(17-12-14(2)25-20(17)23)15-7-9-16(10-8-15)21(3,4)5/h6-10,12H,1,11,13H2,2-5H3