N,N-diethyl-4-[(R)-[3-(phenylcarbamothioylamino)phenyl]-piperazin-1-yl-methyl]benzamide

Systemtic Name: N,N-diethyl-4-[(R)-[3-(phenylcarbamothioylamino)phenyl]-piperazin-1-yl-methyl]benzamide Openeye Name: N,N-diethyl-4-[(R)-[3-(phenylcarbamothioylamino)phenyl]-piperazin-1-yl-methyl]benzamide CAS Name: 4-[(R)-[3-[[anilino(sulfanylidene)methyl]amino]phenyl]-(1-piperazinyl)methyl]-N,N-diethylbenzamide IUPAC Name: N,N-diethyl-4-[(R)-[3-(phenylcarbamothioylamino)phenyl]-piperazin-1-ylmethyl]benzamide Traditional Name: N,N-diethyl-4-[(R)-[3-(phenylthiocarbamoylamino)phenyl]-piperazino-methyl]benzamide Formula: C29H35N5OS MolecularWeight: 501.6861

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C29H35N5OS/c1-3-33(4-2)28(35)23-15-13-22(14-16-23)27(34-19-17-30-18-20-34)24-9-8-12-26(21-24)32-29(36)31-25-10-6-5-7-11-25/h5-16,21,27,30H,3-4,17-20H2,1-2H3,(H2,31,32,36)/t27-/m1/s1