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

Systemtic Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(carbamothioylamino)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-(4-thioureidophenyl)benzamide Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c20-19(28)22-15-7-5-14(6-8-15)21-18(25)13-4-9-16(17(12-13)24(26)27)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,21,25)(H3,20,22,28)