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

Systemtic Name: N-[3-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[allyl-[(5-chloro-2-thienyl)methyl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[allyl-[(5-chloro-2-thienyl)methyl]amino]-3-keto-propyl]-4-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4S/c1-2-11-21(12-15-7-8-16(19)27-15)17(23)9-10-20-18(24)13-3-5-14(6-4-13)22(25)26/h2-8H,1,9-12H2,(H,20,24)