1-[2-chloranyl-4-(3-methoxypropylcarbamothioylamino)phenyl]-3-(3-methoxypropyl)thiourea

Systemtic Name: 1-[2-chloranyl-4-(3-methoxypropylcarbamothioylamino)phenyl]-3-(3-methoxypropyl)thiourea Openeye Name: 1-[2-chloro-4-(3-methoxypropylcarbamothioylamino)phenyl]-3-(3-methoxypropyl)thiourea CAS Name: 1-[2-chloro-4-[[(3-methoxypropylamino)-sulfanylidenemethyl]amino]phenyl]-3-(3-methoxypropyl)thiourea IUPAC Name: 1-[2-chloro-4-(3-methoxypropylcarbamothioylamino)phenyl]-3-(3-methoxypropyl)thiourea Traditional Name: 1-[2-chloro-4-(3-methoxypropylthiocarbamoylamino)phenyl]-3-(3-methoxypropyl)thiourea Formula: C16H25ClN4O2S2 MolecularWeight: 404.9783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCOC)Cl

Isomeric SMILES

COCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCOC)Cl

InChI

InChI=1S/C16H25ClN4O2S2/c1-22-9-3-7-18-15(24)20-12-5-6-14(13(17)11-12)21-16(25)19-8-4-10-23-2/h5-6,11H,3-4,7-10H2,1-2H3,(H2,18,20,24)(H2,19,21,25)