N-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide

Systemtic Name: N-[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3)C(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N5O4S2/c27-20(19-4-2-12-32-19)23-21(31)25-9-7-24(8-10-25)15-5-6-18(26(28)29)17(13-15)22-14-16-3-1-11-30-16/h1-6,11-13,22H,7-10,14H2,(H,23,27,31)