6-[3-(cycloheptylideneamino)-2-(phenylmethyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(cycloheptylideneamino)-2-(phenylmethyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-benzylimino-3-(cycloheptylideneamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(cycloheptylideneamino)-2-(phenylmethyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-benzylimino-3-(cycloheptylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-benzylimino-3-(cycloheptylideneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NN2C(=CSC2=NCC3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5)CC1

Isomeric SMILES

C1CCCC(=NN2C(=CSC2=NCC3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5)CC1

InChI

InChI=1S/C25H26N4O2S/c30-24-16-31-23-13-12-19(14-21(23)27-24)22-17-32-25(26-15-18-8-4-3-5-9-18)29(22)28-20-10-6-1-2-7-11-20/h3-5,8-9,12-14,17H,1-2,6-7,10-11,15-16H2,(H,27,30)