1-[2-chloranyl-4-(hexylcarbamothioylamino)phenyl]-3-hexyl-thiourea

Systemtic Name: 1-[2-chloranyl-4-(hexylcarbamothioylamino)phenyl]-3-hexyl-thiourea Openeye Name: 1-[2-chloro-4-(hexylcarbamothioylamino)phenyl]-3-hexyl-thiourea CAS Name: 1-[2-chloro-4-[[(hexylamino)-sulfanylidenemethyl]amino]phenyl]-3-hexylthiourea IUPAC Name: 1-[2-chloro-4-(hexylcarbamothioylamino)phenyl]-3-hexylthiourea Traditional Name: 1-[2-chloro-4-(hexylthiocarbamoylamino)phenyl]-3-hexyl-thiourea Formula: C20H33ClN4S2 MolecularWeight: 429.08582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCCCC)Cl

Isomeric SMILES

CCCCCCNC(=S)NC1=CC(=C(C=C1)NC(=S)NCCCCCC)Cl

InChI

InChI=1S/C20H33ClN4S2/c1-3-5-7-9-13-22-19(26)24-16-11-12-18(17(21)15-16)25-20(27)23-14-10-8-6-4-2/h11-12,15H,3-10,13-14H2,1-2H3,(H2,22,24,26)(H2,23,25,27)