1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[4-(diethylamino)butyl]thiourea

Systemtic Name: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-[4-(diethylamino)butyl]thiourea Openeye Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[4-(diethylamino)butyl]thiourea CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[4-(diethylamino)butyl]thiourea IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[4-(diethylamino)butyl]thiourea Traditional Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[4-(diethylamino)butyl]thiourea Formula: C16H23ClN4S2 MolecularWeight: 370.96362

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC(=S)NC1=NC2=C(S1)C=C(C=C2)Cl

Isomeric SMILES

CCN(CC)CCCCNC(=S)NC1=NC2=C(S1)C=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN4S2/c1-3-21(4-2)10-6-5-9-18-15(22)20-16-19-13-8-7-12(17)11-14(13)23-16/h7-8,11H,3-6,9-10H2,1-2H3,(H2,18,19,20,22)