N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide

Systemtic Name: N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide Openeye Name: N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide CAS Name: N-[6-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-1,3-benzothiazol-2-yl]butanamide IUPAC Name: N-[6-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-1,3-benzothiazol-2-yl]butanamide Traditional Name: N-[6-[[(E)-3-(3-nitrophenyl)acryloyl]amino]-1,3-benzothiazol-2-yl]butyramide Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O4S/c1-2-4-18(25)23-20-22-16-9-8-14(12-17(16)29-20)21-19(26)10-7-13-5-3-6-15(11-13)24(27)28/h3,5-12H,2,4H2,1H3,(H,21,26)(H,22,23,25)/b10-7+