N-[4-(ethanoylcarbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(ethanoylcarbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(acetylcarbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-[[acetamido(sulfanylidene)methyl]amino]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(acetylcarbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(acetylthiocarbamoylamino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-13(26)21-20(30)23-16-7-5-15(6-8-16)22-19(27)14-4-9-17(18(12-14)25(28)29)24-10-2-3-11-24/h4-9,12H,2-3,10-11H2,1H3,(H,22,27)(H2,21,23,26,30)