1,3-di(octan-2-yl)-1,3-bis[4-(octan-2-ylamino)phenyl]thiourea

Systemtic Name: 1,3-di(octan-2-yl)-1,3-bis[4-(octan-2-ylamino)phenyl]thiourea Openeye Name: 1,3-bis(1-methylheptyl)-1,3-bis[4-(1-methylheptylamino)phenyl]thiourea CAS Name: 1,3-di(octan-2-yl)-1,3-bis[4-(octan-2-ylamino)phenyl]thiourea IUPAC Name: 1,3-di(octan-2-yl)-1,3-bis[4-(octan-2-ylamino)phenyl]thiourea Traditional Name: 1,3-bis(1-methylheptyl)-1,3-bis[4-(1-methylheptylamino)phenyl]thiourea Formula: C45H78N4S MolecularWeight: 707.19262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC1=CC=C(C=C1)N(C(C)CCCCCC)C(=S)N(C2=CC=C(C=C2)NC(C)CCCCCC)C(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)NC1=CC=C(C=C1)N(C(C)CCCCCC)C(=S)N(C2=CC=C(C=C2)NC(C)CCCCCC)C(C)CCCCCC

InChI

InChI=1S/C45H78N4S/c1-9-13-17-21-25-37(5)46-41-29-33-43(34-30-41)48(39(7)27-23-19-15-11-3)45(50)49(40(8)28-24-20-16-12-4)44-35-31-42(32-36-44)47-38(6)26-22-18-14-10-2/h29-40,46-47H,9-28H2,1-8H3