1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-hexadecyl-thiourea

Systemtic Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-hexadecyl-thiourea Openeye Name: 1-[(E)-(4-dimethylaminophenyl)methyleneamino]-3-hexadecyl-thiourea CAS Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-hexadecylthiourea IUPAC Name: 1-[(E)-(4-dimethylaminophenyl)methylideneamino]-3-hexadecylthiourea Traditional Name: 1-cetyl-3-[(E)-[4-(dimethylamino)benzylidene]amino]thiourea Formula: C26H46N4S MolecularWeight: 446.73524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NN=CC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)N/N=C/C1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C26H46N4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-26(31)29-28-23-24-18-20-25(21-19-24)30(2)3/h18-21,23H,4-17,22H2,1-3H3,(H2,27,29,31)/b28-23+