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

Systemtic Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-4-pyrrolidino-N-(4-thioureidophenyl)benzamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3S/c19-18(27)21-14-6-4-13(5-7-14)20-17(24)12-3-8-15(16(11-12)23(25)26)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2,(H,20,24)(H3,19,21,27)