1-[[4-(carbamothioyldiazenyl)-3-chloranyl-2-(octadecylamino)naphthalen-1-yl]amino]thiourea

Systemtic Name: 1-[[4-(carbamothioyldiazenyl)-3-chloranyl-2-(octadecylamino)naphthalen-1-yl]amino]thiourea Openeye Name: [[4-carbamothioylazo-3-chloro-2-(octadecylamino)-1-naphthyl]amino]thiourea CAS Name: [[4-carbamothioylazo-3-chloro-2-(octadecylamino)-1-naphthalenyl]amino]thiourea IUPAC Name: [[4-(carbamothioyldiazenyl)-3-chloro-2-(octadecylamino)naphthalen-1-yl]amino]thiourea Traditional Name: [[3-chloro-2-(stearylamino)-4-thiocarbamoylazo-1-naphthyl]amino]thiourea Formula: C30H48ClN7S2 MolecularWeight: 606.33202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC1=C(C2=CC=CC=C2C(=C1Cl)N=NC(=S)N)NNC(=S)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC1=C(C2=CC=CC=C2C(=C1Cl)N=NC(=S)N)NNC(=S)N

InChI

InChI=1S/C30H48ClN7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-34-28-25(31)26(35-37-29(32)39)23-20-17-18-21-24(23)27(28)36-38-30(33)40/h17-18,20-21,34,36H,2-16,19,22H2,1H3,(H2,32,39)(H3,33,38,40)