N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[5-[(3-chlorophenyl)methyl]-2-thiazolyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[5-(3-chlorobenzyl)thiazol-2-yl]-4-(methylamino)-3-nitro-benzamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O3S/c1-20-15-6-5-12(9-16(15)23(25)26)17(24)22-18-21-10-14(27-18)8-11-3-2-4-13(19)7-11/h2-7,9-10,20H,8H2,1H3,(H,21,22,24)