N-[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide

Systemtic Name: N-[(S)-(4-ethylphenyl)-thiophen-2-yl-methyl]-3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanamide Openeye Name: N-[(S)-(4-ethylphenyl)-(2-thienyl)methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide CAS Name: N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide IUPAC Name: N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide Traditional Name: N-[(S)-(4-ethylphenyl)-(2-thienyl)methyl]-3-(4-keto-1,2,3-benzotriazin-3-yl)propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C2=CC=CS2)NC(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H22N4O2S/c1-2-16-9-11-17(12-10-16)22(20-8-5-15-30-20)24-21(28)13-14-27-23(29)18-6-3-4-7-19(18)25-26-27/h3-12,15,22H,2,13-14H2,1H3,(H,24,28)/t22-/m0/s1