5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-pyrrolidin-1-yl-benzamide CAS Name: 5-nitro-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-nitro-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-nitro-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]-2-pyrrolidino-benzamide Formula: C25H30N6O4S MolecularWeight: 510.6085

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C25H30N6O4S/c1-2-23(32)30-15-13-28(14-16-30)19-7-5-18(6-8-19)26-25(36)27-24(33)21-17-20(31(34)35)9-10-22(21)29-11-3-4-12-29/h5-10,17H,2-4,11-16H2,1H3,(H2,26,27,33,36)