N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propanamide CAS Name: N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-3-(2-nitroanilino)propanamide IUPAC Name: N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propanamide Traditional Name: N-(2-morpholino-1,3-benzothiazol-6-yl)-3-(2-nitroanilino)propionamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)NC(=O)CCNC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c26-19(7-8-21-15-3-1-2-4-17(15)25(27)28)22-14-5-6-16-18(13-14)30-20(23-16)24-9-11-29-12-10-24/h1-6,13,21H,7-12H2,(H,22,26)