N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-(2-nitroanilino)propanamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(2-nitroanilino)propanamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(2-nitroanilino)propionamide Formula: C18H18FN3O3S MolecularWeight: 375.417223

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-])C=C(C=C2)F

InChI

InChI=1S/C18H18FN3O3S/c19-12-5-6-17-13(11-12)14(8-10-26-17)21-18(23)7-9-20-15-3-1-2-4-16(15)22(24)25/h1-6,11,14,20H,7-10H2,(H,21,23)