N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-3-(2-nitroanilino)propanamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-nitroanilino)propanamide Traditional Name: N-(4-methyl-5-piperonyl-thiazol-2-yl)-3-(2-nitroanilino)propionamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O5S/c1-13-19(11-14-6-7-17-18(10-14)30-12-29-17)31-21(23-13)24-20(26)8-9-22-15-4-2-3-5-16(15)25(27)28/h2-7,10,22H,8-9,11-12H2,1H3,(H,23,24,26)