N-[(5-chloranylthiophen-2-yl)methyl]-4-(cyclopropylamino)-3-nitro-N-prop-2-enyl-benzamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-4-(cyclopropylamino)-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-4-(cyclopropylamino)-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-4-(cyclopropylamino)-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3S/c1-2-9-21(11-14-6-8-17(19)26-14)18(23)12-3-7-15(20-13-4-5-13)16(10-12)22(24)25/h2-3,6-8,10,13,20H,1,4-5,9,11H2