N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Openeye Name: N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]butanamide Traditional Name: N-[4-[(isobutyrylthiocarbamoylamino)carbamoyl]phenyl]butyramide Formula: C16H22N4O3S MolecularWeight: 350.43588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C(C)C

InChI

InChI=1S/C16H22N4O3S/c1-4-5-13(21)17-12-8-6-11(7-9-12)15(23)19-20-16(24)18-14(22)10(2)3/h6-10H,4-5H2,1-3H3,(H,17,21)(H,19,23)(H2,18,20,22,24)